NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
532837 | 2ken | 16154 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -11.874 14.286 -18.548 2 H2 MET 1 HT2 MET 1 -10.912 12.887 -18.562 3 H3 MET 1 HT3 MET 1 -10.260 14.366 -18.036 4 HA MET 1 HA MET 1 -11.858 14.377 -16.177 5 HB2 MET 1 HB2 MET 1 -12.409 11.585 -17.234 6 HB3 MET 1 HB1 MET 1 -12.993 12.212 -15.691 7 HG2 MET 1 HG2 MET 1 -13.612 13.421 -18.406 8 HG3 MET 1 HG1 MET 1 -14.713 12.398 -17.487 9 HE1 MET 1 HE1 MET 1 -15.389 12.712 -15.280 10 HE2 MET 1 HE2 MET 1 -15.875 14.250 -14.570 11 HE3 MET 1 HE3 MET 1 -14.246 13.637 -14.297 12 H GLU 2 HN GLU 2 -10.071 14.580 -14.921 13 HA GLU 2 HA GLU 2 -7.961 12.581 -14.924 14 HB2 GLU 2 HB2 GLU 2 -8.500 15.141 -13.428 15 HB3 GLU 2 HB1 GLU 2 -7.216 14.065 -12.873 16 HG2 GLU 2 HG2 GLU 2 -6.073 14.213 -14.978 17 HG3 GLU 2 HG1 GLU 2 -7.439 15.034 -15.731 18 HA PRO 3 HA PRO 3 -9.533 9.962 -11.713 19 HB2 PRO 3 HB2 PRO 3 -7.205 9.119 -10.526 20 HB3 PRO 3 HB1 PRO 3 -7.750 8.545 -12.113 21 HG2 PRO 3 HG2 PRO 3 -5.733 10.648 -11.451 22 HG3 PRO 3 HG1 PRO 3 -5.672 9.384 -12.692 23 HD2 PRO 3 HD2 PRO 3 -6.318 11.960 -13.285 24 HD3 PRO 3 HD1 PRO 3 -7.003 10.584 -14.174 25 H GLN 4 HN GLN 4 -9.649 9.711 -9.339 26 HA GLN 4 HA GLN 4 -9.563 12.318 -8.014 27 HB2 GLN 4 HB2 GLN 4 -11.433 10.736 -7.651 28 HB3 GLN 4 HB1 GLN 4 -10.308 9.583 -6.933 29 HG2 GLN 4 HG2 GLN 4 -9.766 11.178 -5.153 30 HG3 GLN 4 HG1 GLN 4 -10.821 12.385 -5.890 31 HE21 GLN 4 HE21 GLN 4 -12.834 12.469 -4.907 32 HE22 GLN 4 HE22 GLN 4 -13.628 11.152 -4.188 33 H LEU 5 HN LEU 5 -7.779 13.053 -6.995 34 HA LEU 5 HA LEU 5 -5.610 11.181 -6.268 35 HB2 LEU 5 HB2 LEU 5 -5.882 14.173 -6.474 36 HB3 LEU 5 HB1 LEU 5 -4.509 13.465 -5.621 37 HG LEU 5 HG LEU 5 -4.092 13.951 -8.067 38 HD11 LEU 5 HD11 LEU 5 -3.894 10.966 -7.793 39 HD12 LEU 5 HD12 LEU 5 -3.062 11.953 -6.589 40 HD13 LEU 5 HD13 LEU 5 -2.677 12.137 -8.300 41 HD21 LEU 5 HD21 LEU 5 -5.899 11.574 -8.562 42 HD22 LEU 5 HD22 LEU 5 -5.184 12.661 -9.757 43 HD23 LEU 5 HD23 LEU 5 -6.471 13.239 -8.697 44 H THR 6 HN THR 6 -5.209 10.554 -4.244 45 HA THR 6 HA THR 6 -6.616 11.941 -1.982 46 HB THR 6 HB THR 6 -6.045 8.976 -2.298 47 HG1 THR 6 HG1 THR 6 -8.493 10.399 -2.159 48 HG21 THR 6 HG21 THR 6 -5.848 9.624 0.025 49 HG22 THR 6 HG22 THR 6 -7.418 8.848 -0.191 50 HG23 THR 6 HG23 THR 6 -7.309 10.604 -0.083 51 H LYS 7 HN LYS 7 -5.388 12.328 -0.146 52 HA LYS 7 HA LYS 7 -2.457 11.977 -0.464 53 HB2 LYS 7 HB2 LYS 7 -4.126 13.618 1.458 54 HB3 LYS 7 HB1 LYS 7 -2.366 13.599 1.427 55 HG2 LYS 7 HG2 LYS 7 -2.372 14.432 -0.879 56 HG3 LYS 7 HG1 LYS 7 -4.135 14.391 -0.905 57 HD2 LYS 7 HD2 LYS 7 -4.158 16.012 0.999 58 HD3 LYS 7 HD1 LYS 7 -2.401 16.121 0.885 59 HE2 LYS 7 HE2 LYS 7 -4.293 16.730 -1.403 60 HE3 LYS 7 HE1 LYS 7 -3.591 17.955 -0.347 61 HZ1 LYS 7 HZ1 LYS 7 -1.388 17.201 -1.011 62 HZ2 LYS 7 HZ2 LYS 7 -2.295 17.702 -2.358 63 HZ3 LYS 7 HZ3 LYS 7 -2.076 16.046 -2.044 64 H ILE 8 HN ILE 8 -1.207 11.028 1.173 65 HA ILE 8 HA ILE 8 -2.170 8.698 2.415 66 HB ILE 8 HB ILE 8 0.104 10.411 3.443 67 HG12 ILE 8 HG12 ILE 8 0.396 10.129 1.051 68 HG13 ILE 8 HG11 ILE 8 1.514 9.050 1.879 69 HG21 ILE 8 HG21 ILE 8 1.038 8.279 4.181 70 HG22 ILE 8 HG22 ILE 8 -0.329 7.413 3.483 71 HG23 ILE 8 HG23 ILE 8 -0.576 8.486 4.861 72 HD11 ILE 8 HD11 ILE 8 0.583 7.670 0.225 73 HD12 ILE 8 HD12 ILE 8 -1.018 8.380 0.410 74 HD13 ILE 8 HD13 ILE 8 -0.399 7.282 1.638 75 H VAL 9 HN VAL 9 -1.722 11.925 3.804 76 HA VAL 9 HA VAL 9 -2.701 11.236 6.434 77 HB VAL 9 HB VAL 9 -1.283 13.245 5.888 78 HG11 VAL 9 HG11 VAL 9 -2.710 13.803 3.833 79 HG12 VAL 9 HG12 VAL 9 -2.243 15.160 4.857 80 HG13 VAL 9 HG13 VAL 9 -3.873 14.498 4.962 81 HG21 VAL 9 HG21 VAL 9 -2.314 14.645 7.547 82 HG22 VAL 9 HG22 VAL 9 -2.706 12.983 7.988 83 HG23 VAL 9 HG23 VAL 9 -3.914 13.993 7.195 84 H ASP 10 HN ASP 10 -4.287 11.639 3.453 85 HA ASP 10 HA ASP 10 -6.875 12.428 4.699 86 HB2 ASP 10 HB2 ASP 10 -5.933 12.154 1.837 87 HB3 ASP 10 HB1 ASP 10 -7.628 12.414 2.253 88 H ILE 11 HN ILE 11 -5.208 9.646 4.365 89 HA ILE 11 HA ILE 11 -6.992 7.833 3.125 90 HB ILE 11 HB ILE 11 -5.008 7.455 5.374 91 HG12 ILE 11 HG12 ILE 11 -4.883 6.529 2.501 92 HG13 ILE 11 HG11 ILE 11 -4.274 8.100 3.020 93 HG21 ILE 11 HG21 ILE 11 -5.207 4.985 4.685 94 HG22 ILE 11 HG22 ILE 11 -6.728 5.437 3.915 95 HG23 ILE 11 HG23 ILE 11 -6.526 5.641 5.654 96 HD11 ILE 11 HD11 ILE 11 -2.503 6.314 2.978 97 HD12 ILE 11 HD12 ILE 11 -3.405 5.458 4.229 98 HD13 ILE 11 HD13 ILE 11 -2.718 7.045 4.568 99 H VAL 12 HN VAL 12 -6.525 7.974 6.670 100 HA VAL 12 HA VAL 12 -7.981 7.150 8.296 101 HB VAL 12 HB VAL 12 -9.859 8.845 8.572 102 HG11 VAL 12 HG11 VAL 12 -7.758 9.180 9.702 103 HG12 VAL 12 HG12 VAL 12 -8.195 10.720 8.964 104 HG13 VAL 12 HG13 VAL 12 -6.972 9.697 8.210 105 HG21 VAL 12 HG21 VAL 12 -9.842 10.780 7.108 106 HG22 VAL 12 HG22 VAL 12 -10.040 9.342 6.107 107 HG23 VAL 12 HG23 VAL 12 -8.469 10.140 6.205 108 H GLU 13 HN GLU 13 -8.389 5.737 5.757 109 HA GLU 13 HA GLU 13 -10.964 4.557 6.379 110 HB2 GLU 13 HB2 GLU 13 -11.657 6.575 5.082 111 HB3 GLU 13 HB1 GLU 13 -10.668 6.011 3.734 112 HG2 GLU 13 HG2 GLU 13 -11.987 3.936 3.615 113 HG3 GLU 13 HG1 GLU 13 -12.966 4.477 4.978 114 H ASN 14 HN ASN 14 -10.324 2.457 6.201 115 HA ASN 14 HA ASN 14 -8.287 1.675 4.221 116 HB2 ASN 14 HB2 ASN 14 -8.418 -0.531 5.305 117 HB3 ASN 14 HB1 ASN 14 -8.222 0.743 6.507 118 HD21 ASN 14 HD21 ASN 14 -9.231 -0.924 8.019 119 HD22 ASN 14 HD22 ASN 14 -10.924 -1.047 8.061 120 H GLY 15 HN GLY 15 -8.666 0.000 2.621 121 HA2 GLY 15 HA2 GLY 15 -9.934 -1.180 1.045 122 HA3 GLY 15 HA1 GLY 15 -11.337 -0.989 2.102 123 H GLN 16 HN GLN 16 -9.513 1.824 1.191 124 HA GLN 16 HA GLN 16 -11.869 2.803 -0.342 125 HB2 GLN 16 HB2 GLN 16 -10.917 4.166 1.534 126 HB3 GLN 16 HB1 GLN 16 -9.431 4.337 0.598 127 HG2 GLN 16 HG2 GLN 16 -10.704 5.375 -1.240 128 HG3 GLN 16 HG1 GLN 16 -12.191 5.206 -0.306 129 HE21 GLN 16 HE21 GLN 16 -9.639 5.863 1.840 130 HE22 GLN 16 HE22 GLN 16 -9.849 7.543 1.973 131 H TRP 17 HN TRP 17 -11.749 3.368 -2.483 132 HA TRP 17 HA TRP 17 -9.307 2.537 -3.963 133 HB2 TRP 17 HB2 TRP 17 -12.155 3.132 -4.826 134 HB3 TRP 17 HB1 TRP 17 -10.850 2.795 -5.965 135 HD1 TRP 17 HD1 TRP 17 -13.150 1.137 -3.468 136 HE1 TRP 17 HE1 TRP 17 -12.810 -1.418 -3.563 137 HE3 TRP 17 HE3 TRP 17 -9.009 0.907 -6.446 138 HZ2 TRP 17 HZ2 TRP 17 -11.020 -3.310 -4.749 139 HZ3 TRP 17 HZ3 TRP 17 -8.008 -1.280 -7.044 140 HH2 TRP 17 HH2 TRP 17 -9.007 -3.386 -6.200 141 H ALA 18 HN ALA 18 -7.980 4.033 -4.827 142 HA ALA 18 HA ALA 18 -8.929 6.624 -5.722 143 HB1 ALA 18 HB1 ALA 18 -7.105 6.602 -3.305 144 HB2 ALA 18 HB2 ALA 18 -8.819 7.016 -3.274 145 HB3 ALA 18 HB3 ALA 18 -7.685 8.028 -4.169 146 H ASN 19 HN ASN 19 -6.636 8.057 -5.877 147 HA ASN 19 HA ASN 19 -4.578 6.239 -7.084 148 HB2 ASN 19 HB2 ASN 19 -5.341 8.913 -8.279 149 HB3 ASN 19 HB1 ASN 19 -4.372 7.629 -9.004 150 HD21 ASN 19 HD21 ASN 19 -5.487 6.198 -10.337 151 HD22 ASN 19 HD22 ASN 19 -7.170 5.995 -10.348 152 H LEU 20 HN LEU 20 -2.489 6.780 -6.489 153 HA LEU 20 HA LEU 20 -2.012 9.461 -5.260 154 HB2 LEU 20 HB2 LEU 20 -1.155 6.819 -4.054 155 HB3 LEU 20 HB1 LEU 20 -0.790 8.423 -3.418 156 HG LEU 20 HG LEU 20 -3.489 8.653 -3.573 157 HD11 LEU 20 HD11 LEU 20 -4.663 6.647 -3.179 158 HD12 LEU 20 HD12 LEU 20 -3.204 5.765 -2.729 159 HD13 LEU 20 HD13 LEU 20 -3.497 6.181 -4.416 160 HD21 LEU 20 HD21 LEU 20 -2.026 7.247 -1.321 161 HD22 LEU 20 HD22 LEU 20 -3.571 8.089 -1.181 162 HD23 LEU 20 HD23 LEU 20 -2.104 8.996 -1.554 163 H LYS 21 HN LYS 21 0.100 10.198 -5.454 164 HA LYS 21 HA LYS 21 1.915 8.588 -7.218 165 HB2 LYS 21 HB2 LYS 21 0.926 10.728 -8.180 166 HB3 LYS 21 HB1 LYS 21 1.853 11.608 -6.964 167 HG2 LYS 21 HG2 LYS 21 3.925 10.470 -7.808 168 HG3 LYS 21 HG1 LYS 21 2.962 9.771 -9.107 169 HD2 LYS 21 HD2 LYS 21 3.147 12.748 -8.591 170 HD3 LYS 21 HD1 LYS 21 4.193 11.897 -9.726 171 HE2 LYS 21 HE2 LYS 21 2.019 11.035 -10.818 172 HE3 LYS 21 HE1 LYS 21 1.197 12.273 -9.869 173 HZ1 LYS 21 HZ1 LYS 21 3.550 13.051 -11.418 174 HZ2 LYS 21 HZ2 LYS 21 2.163 13.949 -11.024 175 HZ3 LYS 21 HZ3 LYS 21 2.098 12.777 -12.252 176 H ALA 22 HN ALA 22 3.896 8.180 -6.396 177 HA ALA 22 HA ALA 22 5.104 9.893 -4.357 178 HB1 ALA 22 HB1 ALA 22 4.078 7.148 -3.631 179 HB2 ALA 22 HB2 ALA 22 3.670 8.684 -2.869 180 HB3 ALA 22 HB3 ALA 22 5.290 8.009 -2.681 181 H LYS 23 HN LYS 23 7.163 9.048 -3.633 182 HA LYS 23 HA LYS 23 8.545 7.520 -5.834 183 HB2 LYS 23 HB2 LYS 23 10.589 8.616 -5.207 184 HB3 LYS 23 HB1 LYS 23 9.340 9.853 -5.355 185 HG2 LYS 23 HG2 LYS 23 8.968 9.590 -2.854 186 HG3 LYS 23 HG1 LYS 23 10.453 8.641 -2.820 187 HD2 LYS 23 HD2 LYS 23 10.197 11.486 -3.835 188 HD3 LYS 23 HD1 LYS 23 10.904 11.005 -2.295 189 HE2 LYS 23 HE2 LYS 23 11.955 10.484 -5.076 190 HE3 LYS 23 HE1 LYS 23 12.766 11.277 -3.725 191 HZ1 LYS 23 HZ1 LYS 23 12.693 9.143 -2.532 192 HZ2 LYS 23 HZ2 LYS 23 13.613 9.067 -3.959 193 HZ3 LYS 23 HZ3 LYS 23 12.048 8.404 -3.916 194 H VAL 24 HN VAL 24 10.181 5.940 -5.263 195 HA VAL 24 HA VAL 24 9.389 4.452 -2.835 196 HB VAL 24 HB VAL 24 11.222 3.816 -5.155 197 HG11 VAL 24 HG11 VAL 24 11.153 1.467 -4.121 198 HG12 VAL 24 HG12 VAL 24 10.608 2.252 -2.639 199 HG13 VAL 24 HG13 VAL 24 12.188 2.645 -3.316 200 HG21 VAL 24 HG21 VAL 24 8.882 3.722 -5.732 201 HG22 VAL 24 HG22 VAL 24 8.496 2.841 -4.255 202 HG23 VAL 24 HG23 VAL 24 9.439 2.063 -5.523 203 H ILE 25 HN ILE 25 10.290 5.426 -1.057 204 HA ILE 25 HA ILE 25 12.975 6.487 -0.985 205 HB ILE 25 HB ILE 25 11.296 5.548 1.361 206 HG12 ILE 25 HG12 ILE 25 11.384 8.320 0.137 207 HG13 ILE 25 HG11 ILE 25 10.109 7.154 -0.201 208 HG21 ILE 25 HG21 ILE 25 12.617 7.088 2.653 209 HG22 ILE 25 HG22 ILE 25 13.356 7.765 1.203 210 HG23 ILE 25 HG23 ILE 25 13.756 6.125 1.713 211 HD11 ILE 25 HD11 ILE 25 10.740 7.722 2.675 212 HD12 ILE 25 HD12 ILE 25 9.202 7.309 1.917 213 HD13 ILE 25 HD13 ILE 25 9.851 8.940 1.763 214 H GLN 26 HN GLN 26 11.569 3.313 -0.419 215 HA GLN 26 HA GLN 26 14.274 2.156 -0.316 216 HB2 GLN 26 HB2 GLN 26 12.330 1.906 1.998 217 HB3 GLN 26 HB1 GLN 26 13.718 0.842 1.770 218 HG2 GLN 26 HG2 GLN 26 15.179 2.910 1.733 219 HG3 GLN 26 HG1 GLN 26 13.760 3.836 2.219 220 HE21 GLN 26 HE21 GLN 26 14.138 4.307 4.403 221 HE22 GLN 26 HE22 GLN 26 14.520 3.146 5.581 222 H LEU 27 HN LEU 27 14.270 0.096 -1.112 223 HA LEU 27 HA LEU 27 11.620 -1.151 -1.780 224 HB2 LEU 27 HB2 LEU 27 12.523 -1.914 -3.865 225 HB3 LEU 27 HB1 LEU 27 12.964 -0.215 -3.735 226 HG LEU 27 HG LEU 27 14.791 -2.563 -3.080 227 HD11 LEU 27 HD11 LEU 27 14.667 -0.653 -5.412 228 HD12 LEU 27 HD12 LEU 27 14.520 -2.411 -5.438 229 HD13 LEU 27 HD13 LEU 27 16.067 -1.662 -5.047 230 HD21 LEU 27 HD21 LEU 27 16.480 -0.521 -3.134 231 HD22 LEU 27 HD22 LEU 27 15.558 -0.864 -1.672 232 HD23 LEU 27 HD23 LEU 27 15.033 0.421 -2.758 233 H TRP 28 HN TRP 28 11.501 -3.435 -1.638 234 HA TRP 28 HA TRP 28 13.867 -4.852 -0.516 235 HB2 TRP 28 HB2 TRP 28 12.458 -4.066 1.383 236 HB3 TRP 28 HB1 TRP 28 11.108 -4.975 0.705 237 HD1 TRP 28 HD1 TRP 28 10.962 -7.464 1.250 238 HE1 TRP 28 HE1 TRP 28 12.481 -9.153 2.465 239 HE3 TRP 28 HE3 TRP 28 15.159 -4.612 1.838 240 HZ2 TRP 28 HZ2 TRP 28 15.126 -9.279 3.545 241 HZ3 TRP 28 HZ3 TRP 28 17.163 -5.542 2.963 242 HH2 TRP 28 HH2 TRP 28 17.151 -7.871 3.816 243 H GLU 29 HN GLU 29 14.161 -6.413 -1.961 244 HA GLU 29 HA GLU 29 12.058 -7.481 -3.652 245 HB2 GLU 29 HB2 GLU 29 14.426 -7.424 -4.372 246 HB3 GLU 29 HB1 GLU 29 14.832 -8.588 -3.111 247 HG2 GLU 29 HG2 GLU 29 13.332 -10.247 -4.132 248 HG3 GLU 29 HG1 GLU 29 12.873 -9.082 -5.375 249 H ASN 30 HN ASN 30 10.552 -8.957 -3.028 250 HA ASN 30 HA ASN 30 11.003 -10.528 -0.551 251 HB2 ASN 30 HB2 ASN 30 8.835 -9.396 -0.872 252 HB3 ASN 30 HB1 ASN 30 8.579 -10.300 -2.363 253 HD21 ASN 30 HD21 ASN 30 8.431 -10.489 1.133 254 HD22 ASN 30 HD22 ASN 30 7.840 -12.077 1.211 255 H THR 31 HN THR 31 11.285 -12.761 -0.557 256 HA THR 31 HA THR 31 11.676 -14.031 -3.231 257 HB THR 31 HB THR 31 12.500 -15.131 -0.532 258 HG1 THR 31 HG1 THR 31 13.919 -13.600 -0.519 259 HG21 THR 31 HG21 THR 31 13.332 -15.660 -3.397 260 HG22 THR 31 HG22 THR 31 12.523 -16.776 -2.297 261 HG23 THR 31 HG23 THR 31 14.194 -16.297 -1.997 262 H HIS 32 HN HIS 32 9.422 -13.828 -0.732 263 HA HIS 32 HA HIS 32 8.464 -16.588 -0.849 264 HB2 HIS 32 HB2 HIS 32 7.105 -14.106 0.244 265 HB3 HIS 32 HB1 HIS 32 6.641 -15.776 0.568 266 HD1 HIS 32 HD1 HIS 32 10.147 -14.273 0.568 267 HD2 HIS 32 HD2 HIS 32 7.484 -16.114 3.198 268 HE1 HIS 32 HE1 HIS 32 11.400 -14.601 2.745 269 H GLU 33 HN GLU 33 6.632 -17.316 -1.953 270 HA GLU 33 HA GLU 33 6.021 -16.018 -4.463 271 HB2 GLU 33 HB2 GLU 33 4.390 -17.852 -4.754 272 HB3 GLU 33 HB1 GLU 33 5.955 -18.464 -4.214 273 HG2 GLU 33 HG2 GLU 33 5.113 -18.490 -1.874 274 HG3 GLU 33 HG1 GLU 33 3.536 -17.955 -2.454 275 H SER 34 HN SER 34 4.387 -16.180 -1.329 276 HA SER 34 HA SER 34 1.864 -15.143 -2.143 277 HB2 SER 34 HB2 SER 34 3.355 -14.801 0.470 278 HB3 SER 34 HB1 SER 34 1.659 -14.393 0.228 279 HG SER 34 HG SER 34 1.171 -16.446 0.259 280 H ILE 35 HN ILE 35 4.798 -13.466 -0.985 281 HA ILE 35 HA ILE 35 3.624 -10.877 -1.919 282 HB ILE 35 HB ILE 35 5.902 -11.435 0.005 283 HG12 ILE 35 HG12 ILE 35 3.180 -10.202 0.520 284 HG13 ILE 35 HG11 ILE 35 3.522 -11.914 0.774 285 HG21 ILE 35 HG21 ILE 35 6.364 -9.377 -1.125 286 HG22 ILE 35 HG22 ILE 35 5.617 -8.924 0.407 287 HG23 ILE 35 HG23 ILE 35 4.668 -8.893 -1.080 288 HD11 ILE 35 HD11 ILE 35 5.291 -11.349 2.373 289 HD12 ILE 35 HD12 ILE 35 3.772 -10.601 2.868 290 HD13 ILE 35 HD13 ILE 35 5.020 -9.630 2.088 291 H SER 36 HN SER 36 4.604 -9.788 -3.537 292 HA SER 36 HA SER 36 6.917 -11.094 -4.883 293 HB2 SER 36 HB2 SER 36 4.904 -10.543 -6.219 294 HB3 SER 36 HB1 SER 36 5.097 -8.845 -5.794 295 HG SER 36 HG SER 36 6.577 -8.698 -7.267 296 H GLN 37 HN GLN 37 5.875 -7.833 -3.808 297 HA GLN 37 HA GLN 37 8.684 -7.214 -3.128 298 HB2 GLN 37 HB2 GLN 37 8.410 -6.619 -5.548 299 HB3 GLN 37 HB1 GLN 37 7.130 -5.496 -5.085 300 HG2 GLN 37 HG2 GLN 37 8.715 -4.277 -3.643 301 HG3 GLN 37 HG1 GLN 37 9.997 -5.396 -4.107 302 HE21 GLN 37 HE21 GLN 37 11.338 -4.092 -5.405 303 HE22 GLN 37 HE22 GLN 37 10.800 -3.241 -6.771 304 H VAL 38 HN VAL 38 8.868 -5.486 -1.690 305 HA VAL 38 HA VAL 38 6.415 -4.032 -0.860 306 HB VAL 38 HB VAL 38 6.504 -6.084 0.550 307 HG11 VAL 38 HG11 VAL 38 9.090 -6.135 0.412 308 HG12 VAL 38 HG12 VAL 38 8.348 -6.568 1.953 309 HG13 VAL 38 HG13 VAL 38 9.047 -4.965 1.732 310 HG21 VAL 38 HG21 VAL 38 7.217 -3.545 2.053 311 HG22 VAL 38 HG22 VAL 38 6.330 -4.924 2.701 312 HG23 VAL 38 HG23 VAL 38 5.610 -3.928 1.437 313 H GLY 39 HN GLY 39 6.907 -1.979 -0.031 314 HA2 GLY 39 HA2 GLY 39 9.616 -1.331 0.829 315 HA3 GLY 39 HA1 GLY 39 9.228 -0.668 -0.759 316 H LEU 40 HN LEU 40 9.504 1.421 0.309 317 HA LEU 40 HA LEU 40 7.086 2.281 1.880 318 HB2 LEU 40 HB2 LEU 40 9.977 3.147 2.063 319 HB3 LEU 40 HB1 LEU 40 8.665 4.144 2.699 320 HG LEU 40 HG LEU 40 7.901 2.162 4.046 321 HD11 LEU 40 HD11 LEU 40 10.180 0.893 2.618 322 HD12 LEU 40 HD12 LEU 40 8.744 0.164 3.331 323 HD13 LEU 40 HD13 LEU 40 10.119 0.562 4.353 324 HD21 LEU 40 HD21 LEU 40 9.582 2.473 5.776 325 HD22 LEU 40 HD22 LEU 40 9.312 4.010 4.953 326 HD23 LEU 40 HD23 LEU 40 10.748 3.053 4.586 327 H LEU 41 HN LEU 41 6.101 4.223 1.254 328 HA LEU 41 HA LEU 41 6.972 5.291 -1.404 329 HB2 LEU 41 HB2 LEU 41 4.262 5.452 -0.044 330 HB3 LEU 41 HB1 LEU 41 4.640 5.995 -1.679 331 HG LEU 41 HG LEU 41 4.868 3.144 -0.678 332 HD11 LEU 41 HD11 LEU 41 2.545 3.692 -0.879 333 HD12 LEU 41 HD12 LEU 41 2.971 2.800 -2.337 334 HD13 LEU 41 HD13 LEU 41 2.813 4.555 -2.393 335 HD21 LEU 41 HD21 LEU 41 5.545 4.504 -3.283 336 HD22 LEU 41 HD22 LEU 41 5.003 2.826 -3.301 337 HD23 LEU 41 HD23 LEU 41 6.452 3.271 -2.404 338 H GLY 42 HN GLY 42 7.822 7.261 -1.382 339 HA2 GLY 42 HA2 GLY 42 7.621 8.930 1.059 340 HA3 GLY 42 HA1 GLY 42 8.766 9.152 -0.262 341 H ASP 43 HN ASP 43 5.572 9.938 0.898 342 HA ASP 43 HA ASP 43 4.990 11.464 -1.597 343 HB2 ASP 43 HB2 ASP 43 3.222 9.973 -0.628 344 HB3 ASP 43 HB1 ASP 43 3.218 10.989 0.817 345 H GLU 44 HN GLU 44 4.218 13.691 -1.329 346 HA GLU 44 HA GLU 44 5.979 15.251 0.340 347 HB2 GLU 44 HB2 GLU 44 5.126 16.008 -1.868 348 HB3 GLU 44 HB1 GLU 44 3.501 16.094 -1.189 349 HG2 GLU 44 HG2 GLU 44 4.241 17.777 0.434 350 HG3 GLU 44 HG1 GLU 44 5.891 17.663 -0.178 351 H THR 45 HN THR 45 2.832 13.878 0.804 352 HA THR 45 HA THR 45 2.177 15.715 3.036 353 HB THR 45 HB THR 45 0.050 14.544 3.099 354 HG1 THR 45 HG1 THR 45 1.175 12.480 2.542 355 HG21 THR 45 HG21 THR 45 -0.550 14.733 0.564 356 HG22 THR 45 HG22 THR 45 1.094 15.333 0.382 357 HG23 THR 45 HG23 THR 45 -0.044 16.184 1.424 358 H GLY 46 HN GLY 46 3.839 12.784 2.525 359 HA2 GLY 46 HA2 GLY 46 4.802 12.404 5.052 360 HA3 GLY 46 HA1 GLY 46 3.216 11.641 5.157 361 H ILE 47 HN ILE 47 4.196 9.575 5.452 362 HA ILE 47 HA ILE 47 5.174 8.348 2.908 363 HB ILE 47 HB ILE 47 6.894 7.103 4.114 364 HG12 ILE 47 HG12 ILE 47 5.916 8.648 6.543 365 HG13 ILE 47 HG11 ILE 47 5.790 6.905 6.300 366 HG21 ILE 47 HG21 ILE 47 7.166 9.993 4.964 367 HG22 ILE 47 HG22 ILE 47 7.262 9.515 3.271 368 HG23 ILE 47 HG23 ILE 47 8.432 8.887 4.429 369 HD11 ILE 47 HD11 ILE 47 7.708 7.181 7.665 370 HD12 ILE 47 HD12 ILE 47 8.286 8.551 6.717 371 HD13 ILE 47 HD13 ILE 47 8.348 6.923 6.042 372 H ILE 48 HN ILE 48 4.882 5.992 2.866 373 HA ILE 48 HA ILE 48 3.253 4.763 4.957 374 HB ILE 48 HB ILE 48 1.544 6.032 3.723 375 HG12 ILE 48 HG12 ILE 48 1.318 3.105 2.998 376 HG13 ILE 48 HG11 ILE 48 1.158 3.681 4.658 377 HG21 ILE 48 HG21 ILE 48 2.725 6.124 1.556 378 HG22 ILE 48 HG22 ILE 48 1.085 5.507 1.370 379 HG23 ILE 48 HG23 ILE 48 2.452 4.397 1.337 380 HD11 ILE 48 HD11 ILE 48 -0.757 4.989 4.131 381 HD12 ILE 48 HD12 ILE 48 -1.017 3.445 3.319 382 HD13 ILE 48 HD13 ILE 48 -0.473 4.846 2.397 383 H LYS 49 HN LYS 49 3.227 2.497 4.769 384 HA LYS 49 HA LYS 49 5.213 1.401 2.882 385 HB2 LYS 49 HB2 LYS 49 4.953 0.887 5.441 386 HB3 LYS 49 HB1 LYS 49 3.683 -0.216 4.915 387 HG2 LYS 49 HG2 LYS 49 5.249 -1.388 3.457 388 HG3 LYS 49 HG1 LYS 49 6.518 -0.229 3.847 389 HD2 LYS 49 HD2 LYS 49 7.036 -1.958 5.309 390 HD3 LYS 49 HD1 LYS 49 6.024 -0.956 6.340 391 HE2 LYS 49 HE2 LYS 49 5.352 -3.324 6.493 392 HE3 LYS 49 HE1 LYS 49 4.067 -2.360 5.765 393 HZ1 LYS 49 HZ1 LYS 49 4.619 -3.124 3.631 394 HZ2 LYS 49 HZ2 LYS 49 4.636 -4.510 4.615 395 HZ3 LYS 49 HZ3 LYS 49 6.097 -3.780 4.144 396 H PHE 50 HN PHE 50 4.656 0.115 1.106 397 HA PHE 50 HA PHE 50 1.815 -0.792 0.898 398 HB2 PHE 50 HB2 PHE 50 1.695 -0.051 -1.343 399 HB3 PHE 50 HB1 PHE 50 2.516 1.273 -0.526 400 HD1 PHE 50 HD1 PHE 50 5.217 0.878 -0.365 401 HD2 PHE 50 HD2 PHE 50 2.614 -0.744 -3.370 402 HE1 PHE 50 HE1 PHE 50 7.145 0.610 -1.890 403 HE2 PHE 50 HE2 PHE 50 4.543 -1.006 -4.892 404 HZ PHE 50 HZ PHE 50 6.810 -0.338 -4.155 405 H THR 51 HN THR 51 1.578 -2.693 -0.447 406 HA THR 51 HA THR 51 4.086 -4.268 -0.879 407 HB THR 51 HB THR 51 1.513 -5.292 0.356 408 HG1 THR 51 HG1 THR 51 2.450 -4.892 2.184 409 HG21 THR 51 HG21 THR 51 4.161 -6.610 -0.288 410 HG22 THR 51 HG22 THR 51 2.589 -6.998 -0.988 411 HG23 THR 51 HG23 THR 51 2.908 -7.345 0.711 412 H ILE 52 HN ILE 52 4.157 -5.235 -2.827 413 HA ILE 52 HA ILE 52 1.754 -5.049 -4.584 414 HB ILE 52 HB ILE 52 4.673 -5.589 -5.195 415 HG12 ILE 52 HG12 ILE 52 2.916 -3.235 -5.941 416 HG13 ILE 52 HG11 ILE 52 3.960 -3.248 -4.520 417 HG21 ILE 52 HG21 ILE 52 3.438 -6.774 -6.846 418 HG22 ILE 52 HG22 ILE 52 3.820 -5.223 -7.593 419 HG23 ILE 52 HG23 ILE 52 2.207 -5.515 -6.942 420 HD11 ILE 52 HD11 ILE 52 5.912 -3.198 -5.778 421 HD12 ILE 52 HD12 ILE 52 4.841 -2.264 -6.820 422 HD13 ILE 52 HD13 ILE 52 5.162 -3.959 -7.181 423 H TRP 53 HN TRP 53 0.601 -6.848 -5.061 424 HA TRP 53 HA TRP 53 1.490 -9.441 -4.023 425 HB2 TRP 53 HB2 TRP 53 -1.020 -8.516 -5.437 426 HB3 TRP 53 HB1 TRP 53 -0.763 -10.175 -4.895 427 HD1 TRP 53 HD1 TRP 53 -1.891 -6.843 -3.704 428 HE1 TRP 53 HE1 TRP 53 -2.272 -6.887 -1.155 429 HE3 TRP 53 HE3 TRP 53 0.280 -11.312 -2.575 430 HZ2 TRP 53 HZ2 TRP 53 -1.722 -8.599 1.072 431 HZ3 TRP 53 HZ3 TRP 53 0.345 -12.130 -0.236 432 HH2 TRP 53 HH2 TRP 53 -0.653 -10.779 1.588 433 H LYS 54 HN LYS 54 1.949 -11.255 -5.267 434 HA LYS 54 HA LYS 54 3.224 -10.911 -7.788 435 HB2 LYS 54 HB2 LYS 54 3.449 -12.840 -6.085 436 HB3 LYS 54 HB1 LYS 54 2.004 -13.512 -6.838 437 HG2 LYS 54 HG2 LYS 54 3.116 -13.558 -9.012 438 HG3 LYS 54 HG1 LYS 54 4.547 -12.790 -8.323 439 HD2 LYS 54 HD2 LYS 54 4.880 -14.715 -6.829 440 HD3 LYS 54 HD1 LYS 54 3.430 -15.480 -7.478 441 HE2 LYS 54 HE2 LYS 54 5.215 -16.483 -8.674 442 HE3 LYS 54 HE1 LYS 54 4.566 -15.274 -9.783 443 HZ1 LYS 54 HZ1 LYS 54 7.160 -15.468 -8.754 444 HZ2 LYS 54 HZ2 LYS 54 6.469 -14.039 -8.148 445 HZ3 LYS 54 HZ3 LYS 54 6.540 -14.308 -9.825 446 H ASN 55 HN ASN 55 -0.074 -11.856 -6.932 447 HA ASN 55 HA ASN 55 -0.945 -12.699 -9.496 448 HB2 ASN 55 HB2 ASN 55 -2.435 -11.372 -7.217 449 HB3 ASN 55 HB1 ASN 55 -3.233 -12.036 -8.644 450 HD21 ASN 55 HD21 ASN 55 -1.516 -14.353 -8.994 451 HD22 ASN 55 HD22 ASN 55 -1.803 -15.404 -7.692 452 H ALA 56 HN ALA 56 0.117 -9.638 -8.536 453 HA ALA 56 HA ALA 56 -1.604 -8.122 -10.385 454 HB1 ALA 56 HB1 ALA 56 -0.539 -6.189 -9.531 455 HB2 ALA 56 HB2 ALA 56 0.899 -7.087 -9.042 456 HB3 ALA 56 HB3 ALA 56 -0.606 -7.274 -8.144 457 H GLU 57 HN GLU 57 1.532 -9.648 -10.321 458 HA GLU 57 HA GLU 57 3.203 -9.866 -11.943 459 HB2 GLU 57 HB2 GLU 57 0.771 -9.428 -13.697 460 HB3 GLU 57 HB1 GLU 57 2.349 -9.921 -14.311 461 HG2 GLU 57 HG2 GLU 57 2.310 -11.928 -12.929 462 HG3 GLU 57 HG1 GLU 57 0.788 -11.425 -12.192 463 H LEU 58 HN LEU 58 3.342 -7.432 -10.802 464 HA LEU 58 HA LEU 58 3.528 -5.454 -13.035 465 HB2 LEU 58 HB2 LEU 58 3.549 -5.090 -10.028 466 HB3 LEU 58 HB1 LEU 58 3.749 -3.776 -11.192 467 HG LEU 58 HG LEU 58 1.369 -5.638 -11.304 468 HD11 LEU 58 HD11 LEU 58 1.616 -3.049 -9.751 469 HD12 LEU 58 HD12 LEU 58 1.406 -4.660 -9.065 470 HD13 LEU 58 HD13 LEU 58 0.115 -3.935 -10.023 471 HD21 LEU 58 HD21 LEU 58 1.550 -4.339 -13.303 472 HD22 LEU 58 HD22 LEU 58 2.015 -2.888 -12.415 473 HD23 LEU 58 HD23 LEU 58 0.361 -3.490 -12.321 474 HA PRO 59 HA PRO 59 7.959 -5.789 -12.947 475 HB2 PRO 59 HB2 PRO 59 8.664 -3.262 -13.810 476 HB3 PRO 59 HB1 PRO 59 8.043 -4.533 -14.882 477 HG2 PRO 59 HG2 PRO 59 6.615 -2.203 -13.683 478 HG3 PRO 59 HG1 PRO 59 6.456 -2.914 -15.299 479 HD2 PRO 59 HD2 PRO 59 4.659 -3.388 -13.291 480 HD3 PRO 59 HD1 PRO 59 4.999 -4.562 -14.581 481 H LEU 60 HN LEU 60 9.902 -4.909 -11.893 482 HA LEU 60 HA LEU 60 9.373 -4.062 -9.178 483 HB2 LEU 60 HB2 LEU 60 12.006 -4.203 -10.667 484 HB3 LEU 60 HB1 LEU 60 11.797 -4.146 -8.916 485 HG LEU 60 HG LEU 60 10.749 -6.341 -10.730 486 HD11 LEU 60 HD11 LEU 60 13.131 -6.541 -10.618 487 HD12 LEU 60 HD12 LEU 60 12.485 -7.702 -9.457 488 HD13 LEU 60 HD13 LEU 60 13.147 -6.168 -8.894 489 HD21 LEU 60 HD21 LEU 60 9.291 -6.347 -8.888 490 HD22 LEU 60 HD22 LEU 60 10.535 -5.782 -7.772 491 HD23 LEU 60 HD23 LEU 60 10.552 -7.452 -8.343 492 H LEU 61 HN LEU 61 9.663 -2.092 -8.247 493 HA LEU 61 HA LEU 61 9.719 0.246 -10.023 494 HB2 LEU 61 HB2 LEU 61 9.311 -0.151 -7.057 495 HB3 LEU 61 HB1 LEU 61 9.486 1.458 -7.759 496 HG LEU 61 HG LEU 61 7.596 1.013 -9.273 497 HD11 LEU 61 HD11 LEU 61 7.621 -1.316 -9.649 498 HD12 LEU 61 HD12 LEU 61 6.200 -1.090 -8.631 499 HD13 LEU 61 HD13 LEU 61 7.702 -1.689 -7.927 500 HD21 LEU 61 HD21 LEU 61 7.180 2.015 -7.049 501 HD22 LEU 61 HD22 LEU 61 6.971 0.403 -6.367 502 HD23 LEU 61 HD23 LEU 61 5.824 1.010 -7.559 503 H GLU 62 HN GLU 62 11.237 2.021 -9.712 504 HA GLU 62 HA GLU 62 13.944 1.047 -8.931 505 HB2 GLU 62 HB2 GLU 62 13.622 1.999 -11.210 506 HB3 GLU 62 HB1 GLU 62 13.149 3.533 -10.477 507 HG2 GLU 62 HG2 GLU 62 15.330 3.714 -9.379 508 HG3 GLU 62 HG1 GLU 62 15.805 2.143 -10.024 509 H GLN 63 HN GLN 63 14.899 1.799 -7.147 510 HA GLN 63 HA GLN 63 13.519 3.458 -5.262 511 HB2 GLN 63 HB2 GLN 63 15.240 1.764 -4.653 512 HB3 GLN 63 HB1 GLN 63 16.479 2.815 -5.338 513 HG2 GLN 63 HG2 GLN 63 15.882 4.592 -3.754 514 HG3 GLN 63 HG1 GLN 63 14.589 3.589 -3.094 515 HE21 GLN 63 HE21 GLN 63 16.751 4.544 -1.462 516 HE22 GLN 63 HE22 GLN 63 17.672 3.207 -0.968 517 H GLY 64 HN GLY 64 13.637 5.645 -4.845 518 HA2 GLY 64 HA2 GLY 64 14.484 7.841 -4.959 519 HA3 GLY 64 HA1 GLY 64 15.743 7.285 -6.064 520 H GLU 65 HN GLU 65 13.204 5.900 -7.434 521 HA GLU 65 HA GLU 65 12.794 8.175 -9.285 522 HB2 GLU 65 HB2 GLU 65 13.428 5.824 -10.051 523 HB3 GLU 65 HB1 GLU 65 11.793 5.340 -9.601 524 HG2 GLU 65 HG2 GLU 65 11.735 5.882 -11.942 525 HG3 GLU 65 HG1 GLU 65 10.941 7.207 -11.094 526 H SER 66 HN SER 66 10.735 8.845 -9.915 527 HA SER 66 HA SER 66 8.689 8.720 -7.800 528 HB2 SER 66 HB2 SER 66 9.004 10.307 -10.345 529 HB3 SER 66 HB1 SER 66 7.468 10.283 -9.478 530 HG SER 66 HG SER 66 8.731 11.976 -8.722 531 H TYR 67 HN TYR 67 6.711 7.680 -8.004 532 HA TYR 67 HA TYR 67 6.122 6.258 -10.570 533 HB2 TYR 67 HB2 TYR 67 6.300 5.118 -7.785 534 HB3 TYR 67 HB1 TYR 67 5.228 4.378 -8.974 535 HD1 TYR 67 HD2 TYR 67 6.200 3.680 -11.213 536 HD2 TYR 67 HD1 TYR 67 8.638 4.699 -7.835 537 HE1 TYR 67 HE2 TYR 67 8.113 2.493 -12.242 538 HE2 TYR 67 HE1 TYR 67 10.556 3.508 -8.861 539 HH TYR 67 HH TYR 67 11.291 2.842 -11.140 540 H LEU 68 HN LEU 68 4.008 6.137 -11.084 541 HA LEU 68 HA LEU 68 2.083 7.618 -9.329 542 HB2 LEU 68 HB2 LEU 68 2.279 8.713 -11.448 543 HB3 LEU 68 HB1 LEU 68 2.174 7.192 -12.333 544 HG LEU 68 HG LEU 68 -0.154 6.917 -11.610 545 HD11 LEU 68 HD11 LEU 68 0.462 9.419 -10.035 546 HD12 LEU 68 HD12 LEU 68 -0.217 7.901 -9.448 547 HD13 LEU 68 HD13 LEU 68 -1.196 8.978 -10.443 548 HD21 LEU 68 HD21 LEU 68 -1.098 9.009 -12.705 549 HD22 LEU 68 HD22 LEU 68 0.102 8.133 -13.653 550 HD23 LEU 68 HD23 LEU 68 0.560 9.605 -12.796 551 H LEU 69 HN LEU 69 0.469 6.415 -8.425 552 HA LEU 69 HA LEU 69 0.046 3.632 -9.460 553 HB2 LEU 69 HB2 LEU 69 -0.578 4.718 -6.705 554 HB3 LEU 69 HB1 LEU 69 -0.561 3.033 -7.221 555 HG LEU 69 HG LEU 69 1.861 4.855 -7.183 556 HD11 LEU 69 HD11 LEU 69 1.262 4.346 -4.919 557 HD12 LEU 69 HD12 LEU 69 2.585 3.263 -5.349 558 HD13 LEU 69 HD13 LEU 69 0.928 2.661 -5.320 559 HD21 LEU 69 HD21 LEU 69 2.994 2.533 -7.462 560 HD22 LEU 69 HD22 LEU 69 2.238 3.249 -8.883 561 HD23 LEU 69 HD23 LEU 69 1.404 1.977 -7.988 562 H ARG 70 HN ARG 70 -1.814 3.439 -10.542 563 HA ARG 70 HA ARG 70 -4.132 5.193 -9.795 564 HB2 ARG 70 HB2 ARG 70 -3.377 3.918 -12.434 565 HB3 ARG 70 HB1 ARG 70 -4.931 4.698 -12.140 566 HG2 ARG 70 HG2 ARG 70 -3.815 6.805 -11.621 567 HG3 ARG 70 HG1 ARG 70 -2.240 6.036 -11.796 568 HD2 ARG 70 HD2 ARG 70 -2.770 7.242 -13.852 569 HD3 ARG 70 HD1 ARG 70 -2.800 5.506 -14.169 570 HE ARG 70 HE ARG 70 -5.427 6.377 -13.439 571 HH11 ARG 70 HH21 ARG 70 -3.065 6.560 -15.953 572 HH12 ARG 70 HH22 ARG 70 -4.236 6.744 -17.215 573 HH21 ARG 70 HH11 ARG 70 -6.961 6.615 -15.075 574 HH22 ARG 70 HH12 ARG 70 -6.440 6.775 -16.718 575 H SER 71 HN SER 71 -6.136 4.280 -9.529 576 HA SER 71 HA SER 71 -7.687 2.659 -8.935 577 HB2 SER 71 HB2 SER 71 -7.821 1.925 -11.151 578 HB3 SER 71 HB1 SER 71 -6.164 1.339 -11.167 579 HG SER 71 HG SER 71 -8.377 -0.005 -10.638 580 H VAL 72 HN VAL 72 -5.993 2.829 -6.944 581 HA VAL 72 HA VAL 72 -5.133 0.025 -6.307 582 HB VAL 72 HB VAL 72 -3.616 1.110 -4.626 583 HG11 VAL 72 HG11 VAL 72 -2.998 0.451 -7.060 584 HG12 VAL 72 HG12 VAL 72 -1.911 1.530 -6.192 585 HG13 VAL 72 HG13 VAL 72 -3.029 2.186 -7.387 586 HG21 VAL 72 HG21 VAL 72 -4.142 3.676 -6.140 587 HG22 VAL 72 HG22 VAL 72 -3.252 3.459 -4.633 588 HG23 VAL 72 HG23 VAL 72 -5.006 3.287 -4.652 589 H VAL 73 HN VAL 73 -5.290 -0.478 -3.972 590 HA VAL 73 HA VAL 73 -7.680 0.816 -2.705 591 HB VAL 73 HB VAL 73 -8.130 -1.442 -3.770 592 HG11 VAL 73 HG11 VAL 73 -6.536 -2.519 -1.436 593 HG12 VAL 73 HG12 VAL 73 -5.847 -2.350 -3.051 594 HG13 VAL 73 HG13 VAL 73 -7.226 -3.417 -2.788 595 HG21 VAL 73 HG21 VAL 73 -8.428 -1.324 -0.755 596 HG22 VAL 73 HG22 VAL 73 -9.451 -2.216 -1.881 597 HG23 VAL 73 HG23 VAL 73 -9.462 -0.453 -1.887 598 H VAL 74 HN VAL 74 -7.694 0.885 -0.459 599 HA VAL 74 HA VAL 74 -4.993 0.836 0.770 600 HB VAL 74 HB VAL 74 -7.638 1.844 1.864 601 HG11 VAL 74 HG11 VAL 74 -6.147 3.043 3.474 602 HG12 VAL 74 HG12 VAL 74 -4.771 2.167 2.808 603 HG13 VAL 74 HG13 VAL 74 -6.052 1.291 3.645 604 HG21 VAL 74 HG21 VAL 74 -6.985 3.133 -0.078 605 HG22 VAL 74 HG22 VAL 74 -5.314 3.215 0.480 606 HG23 VAL 74 HG23 VAL 74 -6.578 4.082 1.352 607 H GLY 75 HN GLY 75 -4.376 -0.673 2.292 608 HA2 GLY 75 HA2 GLY 75 -6.398 -2.733 3.078 609 HA3 GLY 75 HA1 GLY 75 -4.660 -3.008 2.963 610 H GLU 76 HN GLU 76 -6.517 -3.351 5.276 611 HA GLU 76 HA GLU 76 -5.531 -1.299 7.182 612 HB2 GLU 76 HB2 GLU 76 -7.923 -1.986 7.235 613 HB3 GLU 76 HB1 GLU 76 -7.423 -3.636 7.597 614 HG2 GLU 76 HG2 GLU 76 -8.027 -2.507 9.675 615 HG3 GLU 76 HG1 GLU 76 -6.289 -2.795 9.666 616 H TYR 77 HN TYR 77 -3.438 -1.765 7.743 617 HA TYR 77 HA TYR 77 -2.692 -4.586 8.359 618 HB2 TYR 77 HB2 TYR 77 -1.236 -3.287 6.830 619 HB3 TYR 77 HB1 TYR 77 -0.963 -2.102 8.107 620 HD1 TYR 77 HD2 TYR 77 -0.505 -5.681 7.177 621 HD2 TYR 77 HD1 TYR 77 0.618 -2.503 9.840 622 HE1 TYR 77 HE2 TYR 77 1.328 -7.086 8.080 623 HE2 TYR 77 HE1 TYR 77 2.452 -3.906 10.741 624 HH TYR 77 HH TYR 77 3.401 -5.916 10.732 625 H ASN 78 HN ASN 78 -3.257 -5.066 10.411 626 HA ASN 78 HA ASN 78 -3.604 -4.826 12.726 627 HB2 ASN 78 HB2 ASN 78 -1.166 -5.325 12.502 628 HB3 ASN 78 HB1 ASN 78 -0.848 -3.590 12.519 629 HD21 ASN 78 HD21 ASN 78 0.212 -3.495 14.585 630 HD22 ASN 78 HD22 ASN 78 -0.581 -3.869 16.038 631 H ASP 79 HN ASP 79 -1.613 -2.293 13.550 632 HA ASP 79 HA ASP 79 -3.952 -0.522 13.962 633 HB2 ASP 79 HB2 ASP 79 -2.366 -1.033 15.837 634 HB3 ASP 79 HB1 ASP 79 -1.099 -0.200 14.936 635 H ARG 80 HN ARG 80 -1.244 -0.833 11.863 636 HA ARG 80 HA ARG 80 -1.347 2.047 11.099 637 HB2 ARG 80 HB2 ARG 80 0.569 -0.168 10.327 638 HB3 ARG 80 HB1 ARG 80 0.687 1.501 9.772 639 HG2 ARG 80 HG2 ARG 80 0.534 0.941 12.731 640 HG3 ARG 80 HG1 ARG 80 2.067 0.729 11.889 641 HD2 ARG 80 HD2 ARG 80 0.413 3.276 11.927 642 HD3 ARG 80 HD1 ARG 80 1.907 3.002 12.822 643 HE ARG 80 HE ARG 80 1.691 3.527 9.945 644 HH11 ARG 80 HH21 ARG 80 3.536 2.281 12.581 645 HH12 ARG 80 HH22 ARG 80 5.055 2.445 11.767 646 HH21 ARG 80 HH11 ARG 80 3.663 3.742 8.867 647 HH22 ARG 80 HH12 ARG 80 5.127 3.272 9.664 648 H PHE 81 HN PHE 81 -1.539 2.622 8.871 649 HA PHE 81 HA PHE 81 -3.328 0.778 7.367 650 HB2 PHE 81 HB2 PHE 81 -2.681 3.711 6.929 651 HB3 PHE 81 HB1 PHE 81 -3.886 2.778 6.041 652 HD1 PHE 81 HD2 PHE 81 -5.901 1.895 7.199 653 HD2 PHE 81 HD1 PHE 81 -3.108 4.491 9.174 654 HE1 PHE 81 HE2 PHE 81 -7.571 2.339 8.976 655 HE2 PHE 81 HE1 PHE 81 -4.777 4.935 10.952 656 HZ PHE 81 HZ PHE 81 -7.009 3.861 10.853 657 H GLN 82 HN GLN 82 -2.857 0.275 5.136 658 HA GLN 82 HA GLN 82 -0.183 1.056 4.107 659 HB2 GLN 82 HB2 GLN 82 -1.082 -1.804 4.578 660 HB3 GLN 82 HB1 GLN 82 0.283 -1.365 3.552 661 HG2 GLN 82 HG2 GLN 82 1.363 -0.239 5.469 662 HG3 GLN 82 HG1 GLN 82 0.005 -0.690 6.497 663 HE21 GLN 82 HE21 GLN 82 2.133 -1.734 7.580 664 HE22 GLN 82 HE22 GLN 82 2.411 -3.353 7.154 665 H VAL 83 HN VAL 83 -0.007 0.678 1.794 666 HA VAL 83 HA VAL 83 -2.680 0.569 0.453 667 HB VAL 83 HB VAL 83 -0.030 1.413 -0.752 668 HG11 VAL 83 HG11 VAL 83 -1.497 2.560 -2.364 669 HG12 VAL 83 HG12 VAL 83 -2.915 1.966 -1.498 670 HG13 VAL 83 HG13 VAL 83 -1.842 0.831 -2.320 671 HG21 VAL 83 HG21 VAL 83 -0.386 2.899 1.097 672 HG22 VAL 83 HG22 VAL 83 -2.110 3.020 0.748 673 HG23 VAL 83 HG23 VAL 83 -0.937 3.756 -0.343 674 H GLN 84 HN GLN 84 -3.189 -1.259 -0.615 675 HA GLN 84 HA GLN 84 -1.015 -3.217 -1.271 676 HB2 GLN 84 HB2 GLN 84 -4.004 -3.567 -0.899 677 HB3 GLN 84 HB1 GLN 84 -2.917 -4.850 -1.434 678 HG2 GLN 84 HG2 GLN 84 -1.621 -4.667 0.625 679 HG3 GLN 84 HG1 GLN 84 -2.614 -3.309 1.160 680 HE21 GLN 84 HE21 GLN 84 -2.770 -5.185 2.996 681 HE22 GLN 84 HE22 GLN 84 -4.143 -6.171 2.851 682 H VAL 85 HN VAL 85 -0.544 -3.566 -3.374 683 HA VAL 85 HA VAL 85 -2.332 -2.369 -5.450 684 HB VAL 85 HB VAL 85 0.597 -3.164 -5.479 685 HG11 VAL 85 HG11 VAL 85 -0.201 -3.727 -7.650 686 HG12 VAL 85 HG12 VAL 85 0.473 -2.106 -7.823 687 HG13 VAL 85 HG13 VAL 85 -1.272 -2.328 -7.705 688 HG21 VAL 85 HG21 VAL 85 0.868 -0.724 -5.961 689 HG22 VAL 85 HG22 VAL 85 0.121 -1.025 -4.392 690 HG23 VAL 85 HG23 VAL 85 -0.871 -0.523 -5.761 691 H ASN 86 HN ASN 86 -3.403 -3.712 -6.815 692 HA ASN 86 HA ASN 86 -2.532 -6.559 -7.046 693 HB2 ASN 86 HB2 ASN 86 -5.420 -5.718 -6.737 694 HB3 ASN 86 HB1 ASN 86 -4.766 -7.356 -6.726 695 HD21 ASN 86 HD21 ASN 86 -4.683 -4.283 -4.863 696 HD22 ASN 86 HD22 ASN 86 -4.363 -5.023 -3.368 697 H LYS 87 HN LYS 87 -4.614 -7.380 -8.662 698 HA LYS 87 HA LYS 87 -3.794 -6.568 -11.243 699 HB2 LYS 87 HB2 LYS 87 -6.126 -8.066 -10.104 700 HB3 LYS 87 HB1 LYS 87 -6.251 -7.543 -11.782 701 HG2 LYS 87 HG2 LYS 87 -3.759 -8.957 -10.846 702 HG3 LYS 87 HG1 LYS 87 -5.204 -9.896 -11.224 703 HD2 LYS 87 HD2 LYS 87 -5.283 -8.878 -13.472 704 HD3 LYS 87 HD1 LYS 87 -3.834 -7.943 -13.102 705 HE2 LYS 87 HE2 LYS 87 -2.562 -10.017 -12.783 706 HE3 LYS 87 HE1 LYS 87 -4.009 -10.968 -13.112 707 HZ1 LYS 87 HZ1 LYS 87 -4.110 -9.998 -15.315 708 HZ2 LYS 87 HZ2 LYS 87 -2.609 -10.757 -15.071 709 HZ3 LYS 87 HZ3 LYS 87 -2.730 -9.064 -14.997 710 H ASN 88 HN ASN 88 -5.278 -5.497 -12.883 711 HA ASN 88 HA ASN 88 -6.633 -3.715 -13.582 712 HB2 ASN 88 HB2 ASN 88 -8.076 -4.684 -11.558 713 HB3 ASN 88 HB1 ASN 88 -7.570 -3.193 -10.767 714 HD21 ASN 88 HD21 ASN 88 -10.308 -3.769 -11.528 715 HD22 ASN 88 HD22 ASN 88 -10.760 -2.627 -12.698 716 H SER 89 HN SER 89 -4.462 -3.470 -10.882 717 HA SER 89 HA SER 89 -4.426 -0.573 -10.775 718 HB2 SER 89 HB2 SER 89 -2.517 -0.850 -9.312 719 HB3 SER 89 HB1 SER 89 -3.716 -2.071 -8.894 720 HG SER 89 HG SER 89 -1.279 -2.333 -10.282 721 H SER 90 HN SER 90 -2.543 0.753 -11.422 722 HA SER 90 HA SER 90 -0.920 -0.412 -13.645 723 HB2 SER 90 HB2 SER 90 -2.541 2.147 -13.721 724 HB3 SER 90 HB1 SER 90 -1.304 1.732 -14.904 725 HG SER 90 HG SER 90 -3.776 0.490 -14.367 726 H ILE 91 HN ILE 91 1.071 0.822 -14.036 727 HA ILE 91 HA ILE 91 1.788 2.768 -11.905 728 HB ILE 91 HB ILE 91 3.397 0.320 -12.700 729 HG12 ILE 91 HG12 ILE 91 2.337 1.179 -9.991 730 HG13 ILE 91 HG11 ILE 91 1.506 0.033 -11.041 731 HG21 ILE 91 HG21 ILE 91 4.970 1.238 -10.906 732 HG22 ILE 91 HG22 ILE 91 4.071 2.750 -11.029 733 HG23 ILE 91 HG23 ILE 91 4.944 2.127 -12.428 734 HD11 ILE 91 HD11 ILE 91 3.468 -1.441 -11.014 735 HD12 ILE 91 HD12 ILE 91 2.901 -1.130 -9.371 736 HD13 ILE 91 HD13 ILE 91 4.326 -0.292 -9.986 737 H GLU 92 HN GLU 92 2.823 4.510 -12.780 738 HA GLU 92 HA GLU 92 4.182 4.193 -15.431 739 HB2 GLU 92 HB2 GLU 92 1.952 5.235 -15.756 740 HB3 GLU 92 HB1 GLU 92 2.391 6.502 -14.610 741 HG2 GLU 92 HG2 GLU 92 4.251 7.198 -16.045 742 HG3 GLU 92 HG1 GLU 92 3.890 5.892 -17.175 743 H LYS 93 HN LYS 93 6.111 5.236 -15.573 744 HA LYS 93 HA LYS 93 7.244 6.352 -13.110 745 HB2 LYS 93 HB2 LYS 93 8.340 5.881 -15.881 746 HB3 LYS 93 HB1 LYS 93 9.289 6.637 -14.600 747 HG2 LYS 93 HG2 LYS 93 8.886 4.660 -13.162 748 HG3 LYS 93 HG1 LYS 93 8.001 3.897 -14.482 749 HD2 LYS 93 HD2 LYS 93 10.875 4.826 -14.721 750 HD3 LYS 93 HD1 LYS 93 10.431 3.182 -14.268 751 HE2 LYS 93 HE2 LYS 93 9.025 3.163 -16.440 752 HE3 LYS 93 HE1 LYS 93 9.941 4.601 -16.891 753 HZ1 LYS 93 HZ1 LYS 93 11.005 1.904 -16.295 754 HZ2 LYS 93 HZ2 LYS 93 11.984 3.285 -16.443 755 HZ3 LYS 93 HZ3 LYS 93 11.068 2.743 -17.768 756 H LEU 94 HN LEU 94 7.693 8.486 -12.724 757 HA LEU 94 HA LEU 94 6.729 10.477 -14.755 758 HB2 LEU 94 HB2 LEU 94 6.616 10.365 -11.762 759 HB3 LEU 94 HB1 LEU 94 6.713 11.952 -12.525 760 HG LEU 94 HG LEU 94 4.359 11.120 -12.109 761 HD11 LEU 94 HD11 LEU 94 3.545 12.205 -13.977 762 HD12 LEU 94 HD12 LEU 94 4.599 11.335 -15.091 763 HD13 LEU 94 HD13 LEU 94 5.237 12.673 -14.135 764 HD21 LEU 94 HD21 LEU 94 5.064 8.701 -12.790 765 HD22 LEU 94 HD22 LEU 94 4.796 9.253 -14.444 766 HD23 LEU 94 HD23 LEU 94 3.473 9.276 -13.287 767 H SER 95 HN SER 95 8.044 12.051 -15.427 768 HA SER 95 HA SER 95 10.895 11.829 -14.750 769 HB2 SER 95 HB2 SER 95 10.509 12.126 -17.066 770 HB3 SER 95 HB1 SER 95 9.307 13.383 -16.791 771 HG SER 95 HG SER 95 12.005 13.656 -15.978 772 H GLU 96 HN GLU 96 8.446 13.251 -13.146 773 HA GLU 96 HA GLU 96 10.003 15.726 -12.497 774 HB2 GLU 96 HB2 GLU 96 7.036 15.120 -12.422 775 HB3 GLU 96 HB1 GLU 96 7.747 16.530 -11.634 776 HG2 GLU 96 HG2 GLU 96 8.190 15.887 -14.559 777 HG3 GLU 96 HG1 GLU 96 6.892 16.942 -13.994 778 HA PRO 97 HA PRO 97 10.460 12.942 -8.817 779 HB2 PRO 97 HB2 PRO 97 12.478 15.074 -8.227 780 HB3 PRO 97 HB1 PRO 97 12.649 13.307 -8.147 781 HG2 PRO 97 HG2 PRO 97 13.729 14.710 -10.138 782 HG3 PRO 97 HG1 PRO 97 13.019 13.110 -10.418 783 HD2 PRO 97 HD2 PRO 97 11.898 15.808 -11.092 784 HD3 PRO 97 HD1 PRO 97 11.753 14.274 -11.974 785 H ILE 98 HN ILE 98 9.891 13.294 -6.617 786 HA ILE 98 HA ILE 98 8.401 15.837 -6.128 787 HB ILE 98 HB ILE 98 8.278 13.177 -4.666 788 HG12 ILE 98 HG12 ILE 98 6.267 14.450 -6.547 789 HG13 ILE 98 HG11 ILE 98 7.444 13.245 -7.070 790 HG21 ILE 98 HG21 ILE 98 6.609 15.710 -4.487 791 HG22 ILE 98 HG22 ILE 98 7.661 15.069 -3.226 792 HG23 ILE 98 HG23 ILE 98 6.203 14.189 -3.689 793 HD11 ILE 98 HD11 ILE 98 5.286 12.185 -6.521 794 HD12 ILE 98 HD12 ILE 98 5.374 12.852 -4.891 795 HD13 ILE 98 HD13 ILE 98 6.553 11.650 -5.416 796 H GLU 99 HN GLU 99 8.791 17.042 -4.217 797 HA GLU 99 HA GLU 99 11.390 17.412 -3.346 798 HB2 GLU 99 HB2 GLU 99 8.852 17.751 -1.724 799 HB3 GLU 99 HB1 GLU 99 10.415 18.458 -1.317 800 HG2 GLU 99 HG2 GLU 99 9.385 20.220 -2.458 801 HG3 GLU 99 HG1 GLU 99 10.301 19.452 -3.753 802 H VAL 100 HN VAL 100 9.186 16.196 -0.861 803 HA VAL 100 HA VAL 100 9.562 14.616 0.817 804 HB VAL 100 HB VAL 100 11.169 12.995 -1.148 805 HG11 VAL 100 HG11 VAL 100 10.023 11.146 -0.113 806 HG12 VAL 100 HG12 VAL 100 8.877 12.226 0.679 807 HG13 VAL 100 HG13 VAL 100 10.565 12.205 1.189 808 HG21 VAL 100 HG21 VAL 100 8.254 13.762 -1.362 809 HG22 VAL 100 HG22 VAL 100 8.845 12.235 -2.019 810 HG23 VAL 100 HG23 VAL 100 9.488 13.761 -2.621 811 H GLY 101 HN GLY 101 11.814 16.593 -0.248 812 HA2 GLY 101 HA2 GLY 101 13.745 15.815 1.829 813 HA3 GLY 101 HA1 GLY 101 14.379 15.819 0.179 814 H LEU 102 HN LEU 102 12.997 17.842 2.715 815 HA LEU 102 HA LEU 102 14.478 20.142 1.627 816 HB2 LEU 102 HB2 LEU 102 12.349 20.319 0.424 817 HB3 LEU 102 HB1 LEU 102 11.454 20.194 1.937 818 HG LEU 102 HG LEU 102 12.474 22.296 2.730 819 HD11 LEU 102 HD11 LEU 102 14.036 22.012 0.170 820 HD12 LEU 102 HD12 LEU 102 14.599 22.462 1.777 821 HD13 LEU 102 HD13 LEU 102 13.703 23.627 0.803 822 HD21 LEU 102 HD21 LEU 102 11.189 22.379 -0.011 823 HD22 LEU 102 HD22 LEU 102 11.458 23.816 0.976 824 HD23 LEU 102 HD23 LEU 102 10.395 22.535 1.557 825 H GLU 103 HN GLU 103 15.548 20.724 3.427 826 HA GLU 103 HA GLU 103 14.121 21.603 5.800 827 HB2 GLU 103 HB2 GLU 103 15.126 20.010 7.369 828 HB3 GLU 103 HB1 GLU 103 14.188 19.136 6.158 829 HG2 GLU 103 HG2 GLU 103 16.309 18.792 4.852 830 HG3 GLU 103 HG1 GLU 103 17.198 19.504 6.200 831 H HIS 104 HN HIS 104 17.020 21.102 3.951 832 HA HIS 104 HA HIS 104 18.294 23.387 5.347 833 HB2 HIS 104 HB2 HIS 104 20.405 22.209 5.620 834 HB3 HIS 104 HB1 HIS 104 19.143 21.265 6.411 835 HD1 HIS 104 HD1 HIS 104 17.994 19.416 4.591 836 HD2 HIS 104 HD2 HIS 104 21.930 20.632 3.962 837 HE1 HIS 104 HE1 HIS 104 19.049 17.675 3.087 838 H HIS 105 HN HIS 105 19.810 24.472 3.969 839 HA HIS 105 HA HIS 105 20.386 23.442 1.297 840 HB2 HIS 105 HB2 HIS 105 18.023 24.289 1.091 841 HB3 HIS 105 HB1 HIS 105 18.606 25.887 1.555 842 HD1 HIS 105 HD1 HIS 105 20.251 27.090 -0.123 843 HD2 HIS 105 HD2 HIS 105 18.586 23.554 -1.571 844 HE1 HIS 105 HE1 HIS 105 20.672 27.069 -2.622 845 H HIS 106 HN HIS 106 22.541 23.895 2.168 846 HA HIS 106 HA HIS 106 23.185 26.730 2.728 847 HB2 HIS 106 HB2 HIS 106 24.814 24.177 2.836 848 HB3 HIS 106 HB1 HIS 106 25.497 25.774 3.142 849 HD1 HIS 106 HD1 HIS 106 22.795 23.453 4.471 850 HD2 HIS 106 HD2 HIS 106 25.009 26.763 5.706 851 HE1 HIS 106 HE1 HIS 106 22.245 23.812 6.917 852 H HIS 107 HN HIS 107 23.872 28.062 1.158 853 HA HIS 107 HA HIS 107 24.503 28.769 -0.993 854 HB2 HIS 107 HB2 HIS 107 26.688 28.234 0.022 855 HB3 HIS 107 HB1 HIS 107 26.535 26.566 -0.530 856 HD1 HIS 107 HD1 HIS 107 27.247 26.068 -2.897 857 HD2 HIS 107 HD2 HIS 107 26.847 30.161 -2.207 858 HE1 HIS 107 HE1 HIS 107 28.119 27.233 -4.970 859 H HIS 108 HN HIS 108 25.919 25.909 -2.113 860 HA HIS 108 HA HIS 108 23.426 24.944 -3.422 861 HB2 HIS 108 HB2 HIS 108 25.934 25.837 -4.874 862 HB3 HIS 108 HB1 HIS 108 24.632 24.912 -5.625 863 HD1 HIS 108 HD1 HIS 108 25.299 28.272 -3.998 864 HD2 HIS 108 HD2 HIS 108 22.374 26.422 -6.323 865 HE1 HIS 108 HE1 HIS 108 23.671 30.089 -4.680 866 H HIS 109 HN HIS 109 23.487 22.756 -3.898 867 HA HIS 109 HA HIS 109 25.118 21.032 -2.413 868 HB2 HIS 109 HB2 HIS 109 23.665 20.595 -5.034 869 HB3 HIS 109 HB1 HIS 109 24.437 19.288 -4.136 870 HD1 HIS 109 HD1 HIS 109 21.726 21.919 -3.719 871 HD2 HIS 109 HD2 HIS 109 22.939 18.325 -1.988 872 HE1 HIS 109 HE1 HIS 109 19.925 21.281 -2.057 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -12.648 11.939 -18.830 2 H2 MET 1 HT2 MET 1 -12.134 10.481 -18.127 3 H3 MET 1 HT3 MET 1 -10.991 11.631 -18.638 4 HA MET 1 HA MET 1 -12.138 13.195 -16.985 5 HB2 MET 1 HB2 MET 1 -12.950 10.468 -15.931 6 HB3 MET 1 HB1 MET 1 -13.154 12.002 -15.084 7 HG2 MET 1 HG2 MET 1 -15.262 11.651 -16.087 8 HG3 MET 1 HG1 MET 1 -14.462 12.757 -17.204 9 HE1 MET 1 HE1 MET 1 -16.893 10.078 -17.519 10 HE2 MET 1 HE2 MET 1 -16.705 10.269 -19.260 11 HE3 MET 1 HE3 MET 1 -16.718 11.692 -18.222 12 H GLU 2 HN GLU 2 -10.676 13.745 -15.406 13 HA GLU 2 HA GLU 2 -8.144 12.381 -15.422 14 HB2 GLU 2 HB2 GLU 2 -7.740 14.089 -13.437 15 HB3 GLU 2 HB1 GLU 2 -7.919 14.686 -15.086 16 HG2 GLU 2 HG2 GLU 2 -10.177 15.326 -14.727 17 HG3 GLU 2 HG1 GLU 2 -10.285 14.391 -13.235 18 HA PRO 3 HA PRO 3 -8.755 9.550 -12.071 19 HB2 PRO 3 HB2 PRO 3 -6.223 9.455 -10.982 20 HB3 PRO 3 HB1 PRO 3 -6.657 8.680 -12.519 21 HG2 PRO 3 HG2 PRO 3 -5.295 11.299 -12.042 22 HG3 PRO 3 HG1 PRO 3 -4.939 10.047 -13.247 23 HD2 PRO 3 HD2 PRO 3 -6.317 12.303 -13.876 24 HD3 PRO 3 HD1 PRO 3 -6.629 10.750 -14.678 25 H GLN 4 HN GLN 4 -9.146 9.492 -9.834 26 HA GLN 4 HA GLN 4 -9.357 12.101 -8.539 27 HB2 GLN 4 HB2 GLN 4 -10.031 9.291 -7.627 28 HB3 GLN 4 HB1 GLN 4 -10.347 10.738 -6.667 29 HG2 GLN 4 HG2 GLN 4 -11.761 11.646 -8.456 30 HG3 GLN 4 HG1 GLN 4 -11.413 10.240 -9.462 31 HE21 GLN 4 HE21 GLN 4 -13.994 10.277 -9.205 32 HE22 GLN 4 HE22 GLN 4 -14.597 9.319 -7.940 33 H LEU 5 HN LEU 5 -7.722 12.991 -7.407 34 HA LEU 5 HA LEU 5 -5.480 11.308 -6.491 35 HB2 LEU 5 HB2 LEU 5 -5.968 14.278 -6.726 36 HB3 LEU 5 HB1 LEU 5 -4.603 13.667 -5.794 37 HG LEU 5 HG LEU 5 -4.060 14.192 -8.204 38 HD11 LEU 5 HD11 LEU 5 -2.523 12.471 -8.325 39 HD12 LEU 5 HD12 LEU 5 -3.695 11.224 -7.924 40 HD13 LEU 5 HD13 LEU 5 -3.020 12.241 -6.653 41 HD21 LEU 5 HD21 LEU 5 -6.347 13.319 -8.990 42 HD22 LEU 5 HD22 LEU 5 -5.660 11.702 -8.826 43 HD23 LEU 5 HD23 LEU 5 -4.952 12.846 -9.966 44 H THR 6 HN THR 6 -5.237 10.649 -4.466 45 HA THR 6 HA THR 6 -6.801 12.040 -2.298 46 HB THR 6 HB THR 6 -6.358 9.054 -2.571 47 HG1 THR 6 HG1 THR 6 -8.606 10.735 -2.977 48 HG21 THR 6 HG21 THR 6 -8.063 9.056 -0.683 49 HG22 THR 6 HG22 THR 6 -7.776 10.790 -0.538 50 HG23 THR 6 HG23 THR 6 -6.460 9.651 -0.253 51 H LYS 7 HN LYS 7 -5.746 12.249 -0.313 52 HA LYS 7 HA LYS 7 -2.818 11.800 -0.423 53 HB2 LYS 7 HB2 LYS 7 -4.595 13.425 1.417 54 HB3 LYS 7 HB1 LYS 7 -2.848 13.295 1.587 55 HG2 LYS 7 HG2 LYS 7 -2.557 14.207 -0.689 56 HG3 LYS 7 HG1 LYS 7 -4.306 14.353 -0.847 57 HD2 LYS 7 HD2 LYS 7 -4.376 15.929 1.026 58 HD3 LYS 7 HD1 LYS 7 -2.639 15.744 1.270 59 HE2 LYS 7 HE2 LYS 7 -3.087 17.786 -0.012 60 HE3 LYS 7 HE1 LYS 7 -2.243 16.613 -1.023 61 HZ1 LYS 7 HZ1 LYS 7 -5.190 16.730 -0.985 62 HZ2 LYS 7 HZ2 LYS 7 -4.162 16.104 -2.185 63 HZ3 LYS 7 HZ3 LYS 7 -4.297 17.785 -1.969 64 H ILE 8 HN ILE 8 -1.759 10.534 1.061 65 HA ILE 8 HA ILE 8 -2.990 8.300 2.213 66 HB ILE 8 HB ILE 8 -0.445 9.751 2.993 67 HG12 ILE 8 HG12 ILE 8 -0.807 7.130 1.520 68 HG13 ILE 8 HG11 ILE 8 -0.700 8.680 0.685 69 HG21 ILE 8 HG21 ILE 8 0.131 7.495 4.050 70 HG22 ILE 8 HG22 ILE 8 -1.586 7.125 3.955 71 HG23 ILE 8 HG23 ILE 8 -1.033 8.484 4.928 72 HD11 ILE 8 HD11 ILE 8 1.495 7.423 0.913 73 HD12 ILE 8 HD12 ILE 8 1.397 7.723 2.649 74 HD13 ILE 8 HD13 ILE 8 1.513 9.076 1.525 75 H VAL 9 HN VAL 9 -2.324 11.456 3.637 76 HA VAL 9 HA VAL 9 -3.170 10.802 6.309 77 HB VAL 9 HB VAL 9 -1.788 12.818 5.557 78 HG11 VAL 9 HG11 VAL 9 -2.852 14.721 4.665 79 HG12 VAL 9 HG12 VAL 9 -4.460 14.149 5.112 80 HG13 VAL 9 HG13 VAL 9 -3.595 13.392 3.777 81 HG21 VAL 9 HG21 VAL 9 -2.763 12.537 7.847 82 HG22 VAL 9 HG22 VAL 9 -4.200 13.402 7.302 83 HG23 VAL 9 HG23 VAL 9 -2.642 14.226 7.352 84 H ASP 10 HN ASP 10 -4.927 11.154 3.439 85 HA ASP 10 HA ASP 10 -7.423 12.009 4.813 86 HB2 ASP 10 HB2 ASP 10 -6.738 11.570 1.892 87 HB3 ASP 10 HB1 ASP 10 -8.339 12.022 2.470 88 H ILE 11 HN ILE 11 -5.826 9.210 4.537 89 HA ILE 11 HA ILE 11 -7.655 7.352 3.422 90 HB ILE 11 HB ILE 11 -5.545 7.120 5.572 91 HG12 ILE 11 HG12 ILE 11 -5.733 5.924 2.792 92 HG13 ILE 11 HG11 ILE 11 -4.914 7.440 3.160 93 HG21 ILE 11 HG21 ILE 11 -7.070 5.409 6.217 94 HG22 ILE 11 HG22 ILE 11 -5.879 4.582 5.218 95 HG23 ILE 11 HG23 ILE 11 -7.440 5.020 4.544 96 HD11 ILE 11 HD11 ILE 11 -4.233 4.689 4.213 97 HD12 ILE 11 HD12 ILE 11 -3.513 6.169 4.842 98 HD13 ILE 11 HD13 ILE 11 -3.242 5.697 3.164 99 H VAL 12 HN VAL 12 -7.100 7.753 6.954 100 HA VAL 12 HA VAL 12 -8.498 7.176 8.692 101 HB VAL 12 HB VAL 12 -10.410 8.701 8.860 102 HG11 VAL 12 HG11 VAL 12 -8.036 9.500 9.149 103 HG12 VAL 12 HG12 VAL 12 -9.167 10.768 8.678 104 HG13 VAL 12 HG13 VAL 12 -8.081 10.066 7.479 105 HG21 VAL 12 HG21 VAL 12 -11.120 8.420 6.423 106 HG22 VAL 12 HG22 VAL 12 -9.814 9.529 6.005 107 HG23 VAL 12 HG23 VAL 12 -11.135 10.074 7.028 108 H GLU 13 HN GLU 13 -8.849 5.573 6.086 109 HA GLU 13 HA GLU 13 -10.907 3.840 7.077 110 HB2 GLU 13 HB2 GLU 13 -12.694 4.245 5.608 111 HB3 GLU 13 HB1 GLU 13 -12.164 5.877 6.004 112 HG2 GLU 13 HG2 GLU 13 -10.671 5.707 3.909 113 HG3 GLU 13 HG1 GLU 13 -11.632 4.290 3.503 114 H ASN 14 HN ASN 14 -10.456 1.857 6.290 115 HA ASN 14 HA ASN 14 -8.432 1.619 4.129 116 HB2 ASN 14 HB2 ASN 14 -8.216 -0.689 4.812 117 HB3 ASN 14 HB1 ASN 14 -8.194 0.327 6.252 118 HD21 ASN 14 HD21 ASN 14 -8.994 -2.493 6.217 119 HD22 ASN 14 HD22 ASN 14 -10.625 -2.553 6.688 120 H GLY 15 HN GLY 15 -8.762 -0.175 2.496 121 HA2 GLY 15 HA2 GLY 15 -10.020 -1.236 0.838 122 HA3 GLY 15 HA1 GLY 15 -11.451 -1.022 1.849 123 H GLN 16 HN GLN 16 -9.493 1.745 1.097 124 HA GLN 16 HA GLN 16 -11.763 2.868 -0.452 125 HB2 GLN 16 HB2 GLN 16 -10.715 4.130 1.448 126 HB3 GLN 16 HB1 GLN 16 -9.244 4.263 0.492 127 HG2 GLN 16 HG2 GLN 16 -10.521 5.392 -1.298 128 HG3 GLN 16 HG1 GLN 16 -11.985 5.272 -0.324 129 HE21 GLN 16 HE21 GLN 16 -9.873 5.746 2.065 130 HE22 GLN 16 HE22 GLN 16 -9.779 7.441 2.100 131 H TRP 17 HN TRP 17 -11.640 3.354 -2.596 132 HA TRP 17 HA TRP 17 -9.193 2.500 -4.059 133 HB2 TRP 17 HB2 TRP 17 -12.023 3.096 -4.964 134 HB3 TRP 17 HB1 TRP 17 -10.705 2.687 -6.063 135 HD1 TRP 17 HD1 TRP 17 -13.133 1.174 -3.620 136 HE1 TRP 17 HE1 TRP 17 -12.833 -1.386 -3.579 137 HE3 TRP 17 HE3 TRP 17 -8.831 0.751 -6.334 138 HZ2 TRP 17 HZ2 TRP 17 -11.006 -3.354 -4.571 139 HZ3 TRP 17 HZ3 TRP 17 -7.832 -1.473 -6.772 140 HH2 TRP 17 HH2 TRP 17 -8.913 -3.525 -5.894 141 H ALA 18 HN ALA 18 -7.849 3.996 -4.897 142 HA ALA 18 HA ALA 18 -8.804 6.579 -5.848 143 HB1 ALA 18 HB1 ALA 18 -7.030 6.547 -3.393 144 HB2 ALA 18 HB2 ALA 18 -8.728 7.023 -3.420 145 HB3 ALA 18 HB3 ALA 18 -7.530 7.979 -4.291 146 H ASN 19 HN ASN 19 -6.517 8.021 -5.962 147 HA ASN 19 HA ASN 19 -4.373 6.220 -7.010 148 HB2 ASN 19 HB2 ASN 19 -5.416 8.595 -8.570 149 HB3 ASN 19 HB1 ASN 19 -4.226 7.402 -9.093 150 HD21 ASN 19 HD21 ASN 19 -7.082 8.122 -10.096 151 HD22 ASN 19 HD22 ASN 19 -7.855 6.615 -10.196 152 H LEU 20 HN LEU 20 -2.321 7.017 -6.597 153 HA LEU 20 HA LEU 20 -1.965 9.869 -6.012 154 HB2 LEU 20 HB2 LEU 20 -2.696 8.926 -3.834 155 HB3 LEU 20 HB1 LEU 20 -1.369 7.766 -3.903 156 HG LEU 20 HG LEU 20 0.256 9.650 -3.961 157 HD11 LEU 20 HD11 LEU 20 -0.760 11.513 -4.889 158 HD12 LEU 20 HD12 LEU 20 -0.928 11.924 -3.186 159 HD13 LEU 20 HD13 LEU 20 -2.294 11.236 -4.066 160 HD21 LEU 20 HD21 LEU 20 0.031 10.292 -1.645 161 HD22 LEU 20 HD22 LEU 20 -0.512 8.620 -1.802 162 HD23 LEU 20 HD23 LEU 20 -1.693 9.923 -1.661 163 H LYS 21 HN LYS 21 0.184 10.526 -6.155 164 HA LYS 21 HA LYS 21 2.057 8.503 -7.334 165 HB2 LYS 21 HB2 LYS 21 3.334 10.547 -8.071 166 HB3 LYS 21 HB1 LYS 21 1.707 10.437 -8.736 167 HG2 LYS 21 HG2 LYS 21 0.861 12.001 -7.084 168 HG3 LYS 21 HG1 LYS 21 2.421 12.033 -6.268 169 HD2 LYS 21 HD2 LYS 21 2.203 14.015 -7.670 170 HD3 LYS 21 HD1 LYS 21 3.455 12.964 -8.327 171 HE2 LYS 21 HE2 LYS 21 2.102 12.257 -10.113 172 HE3 LYS 21 HE1 LYS 21 0.609 12.733 -9.301 173 HZ1 LYS 21 HZ1 LYS 21 1.329 15.055 -9.514 174 HZ2 LYS 21 HZ2 LYS 21 1.139 14.296 -11.022 175 HZ3 LYS 21 HZ3 LYS 21 2.694 14.547 -10.384 176 H ALA 22 HN ALA 22 4.012 8.106 -6.386 177 HA ALA 22 HA ALA 22 4.933 9.754 -4.089 178 HB1 ALA 22 HB1 ALA 22 4.829 8.084 -2.447 179 HB2 ALA 22 HB2 ALA 22 4.599 6.793 -3.628 180 HB3 ALA 22 HB3 ALA 22 3.288 7.923 -3.284 181 H LYS 23 HN LYS 23 7.053 9.122 -3.316 182 HA LYS 23 HA LYS 23 8.718 7.948 -5.511 183 HB2 LYS 23 HB2 LYS 23 9.227 10.264 -4.808 184 HB3 LYS 23 HB1 LYS 23 9.541 9.689 -3.172 185 HG2 LYS 23 HG2 LYS 23 11.350 8.236 -4.044 186 HG3 LYS 23 HG1 LYS 23 11.037 8.840 -5.671 187 HD2 LYS 23 HD2 LYS 23 11.555 11.135 -4.921 188 HD3 LYS 23 HD1 LYS 23 11.881 10.530 -3.298 189 HE2 LYS 23 HE2 LYS 23 13.695 9.112 -4.192 190 HE3 LYS 23 HE1 LYS 23 13.368 9.724 -5.811 191 HZ1 LYS 23 HZ1 LYS 23 15.170 10.952 -4.878 192 HZ2 LYS 23 HZ2 LYS 23 14.287 11.293 -3.467 193 HZ3 LYS 23 HZ3 LYS 23 13.821 11.978 -4.949 194 H VAL 24 HN VAL 24 10.286 6.351 -5.029 195 HA VAL 24 HA VAL 24 9.583 4.672 -2.706 196 HB VAL 24 HB VAL 24 11.562 4.262 -4.963 197 HG11 VAL 24 HG11 VAL 24 11.287 1.829 -4.198 198 HG12 VAL 24 HG12 VAL 24 10.586 2.485 -2.718 199 HG13 VAL 24 HG13 VAL 24 12.249 2.871 -3.152 200 HG21 VAL 24 HG21 VAL 24 9.255 4.376 -5.755 201 HG22 VAL 24 HG22 VAL 24 8.739 3.257 -4.494 202 HG23 VAL 24 HG23 VAL 24 9.797 2.698 -5.790 203 H ILE 25 HN ILE 25 10.429 5.748 -0.899 204 HA ILE 25 HA ILE 25 13.114 6.800 -0.785 205 HB ILE 25 HB ILE 25 11.374 5.897 1.530 206 HG12 ILE 25 HG12 ILE 25 11.475 8.637 0.225 207 HG13 ILE 25 HG11 ILE 25 10.190 7.458 -0.047 208 HG21 ILE 25 HG21 ILE 25 12.648 7.555 2.785 209 HG22 ILE 25 HG22 ILE 25 13.507 8.048 1.326 210 HG23 ILE 25 HG23 ILE 25 13.771 6.443 2.007 211 HD11 ILE 25 HD11 ILE 25 9.337 7.668 2.098 212 HD12 ILE 25 HD12 ILE 25 9.920 9.308 1.829 213 HD13 ILE 25 HD13 ILE 25 10.873 8.186 2.790 214 H GLN 26 HN GLN 26 11.658 3.650 -0.124 215 HA GLN 26 HA GLN 26 14.381 2.504 0.096 216 HB2 GLN 26 HB2 GLN 26 12.273 2.270 2.260 217 HB3 GLN 26 HB1 GLN 26 13.635 1.158 2.123 218 HG2 GLN 26 HG2 GLN 26 15.198 3.087 2.274 219 HG3 GLN 26 HG1 GLN 26 13.819 4.164 2.478 220 HE21 GLN 26 HE21 GLN 26 16.115 2.492 4.241 221 HE22 GLN 26 HE22 GLN 26 15.278 2.355 5.711 222 H LEU 27 HN LEU 27 14.461 0.647 -1.048 223 HA LEU 27 HA LEU 27 11.882 -0.671 -1.775 224 HB2 LEU 27 HB2 LEU 27 13.126 0.249 -3.687 225 HB3 LEU 27 HB1 LEU 27 14.548 -0.691 -3.227 226 HG LEU 27 HG LEU 27 13.248 -2.774 -3.519 227 HD11 LEU 27 HD11 LEU 27 11.035 -0.798 -4.014 228 HD12 LEU 27 HD12 LEU 27 10.996 -2.323 -3.131 229 HD13 LEU 27 HD13 LEU 27 11.000 -2.330 -4.889 230 HD21 LEU 27 HD21 LEU 27 14.500 -2.076 -5.429 231 HD22 LEU 27 HD22 LEU 27 13.311 -0.837 -5.835 232 HD23 LEU 27 HD23 LEU 27 12.906 -2.543 -6.027 233 H TRP 28 HN TRP 28 11.721 -2.930 -1.606 234 HA TRP 28 HA TRP 28 14.043 -4.400 -0.480 235 HB2 TRP 28 HB2 TRP 28 12.572 -3.507 1.393 236 HB3 TRP 28 HB1 TRP 28 11.294 -4.548 0.766 237 HD1 TRP 28 HD1 TRP 28 11.312 -6.991 1.495 238 HE1 TRP 28 HE1 TRP 28 12.959 -8.503 2.777 239 HE3 TRP 28 HE3 TRP 28 15.333 -3.856 1.804 240 HZ2 TRP 28 HZ2 TRP 28 15.628 -8.398 3.798 241 HZ3 TRP 28 HZ3 TRP 28 17.413 -4.587 2.936 242 HH2 TRP 28 HH2 TRP 28 17.565 -6.853 3.933 243 H GLU 29 HN GLU 29 14.271 -5.968 -1.935 244 HA GLU 29 HA GLU 29 12.120 -7.005 -3.580 245 HB2 GLU 29 HB2 GLU 29 14.922 -8.029 -3.050 246 HB3 GLU 29 HB1 GLU 29 13.826 -8.750 -4.229 247 HG2 GLU 29 HG2 GLU 29 13.688 -6.622 -5.441 248 HG3 GLU 29 HG1 GLU 29 14.724 -5.852 -4.238 249 H ASN 30 HN ASN 30 10.614 -8.494 -2.991 250 HA ASN 30 HA ASN 30 11.124 -10.147 -0.541 251 HB2 ASN 30 HB2 ASN 30 9.086 -8.683 -0.610 252 HB3 ASN 30 HB1 ASN 30 8.511 -9.617 -1.989 253 HD21 ASN 30 HD21 ASN 30 7.831 -11.845 -1.606 254 HD22 ASN 30 HD22 ASN 30 7.546 -12.421 -0.036 255 H THR 31 HN THR 31 10.759 -12.410 -0.631 256 HA THR 31 HA THR 31 10.271 -13.610 -3.319 257 HB THR 31 HB THR 31 12.510 -14.593 -1.535 258 HG1 THR 31 HG1 THR 31 13.587 -12.934 -2.208 259 HG21 THR 31 HG21 THR 31 13.167 -15.823 -3.495 260 HG22 THR 31 HG22 THR 31 12.020 -14.939 -4.500 261 HG23 THR 31 HG23 THR 31 11.434 -16.077 -3.290 262 H HIS 32 HN HIS 32 8.308 -13.567 -1.551 263 HA HIS 32 HA HIS 32 8.376 -16.145 -0.028 264 HB2 HIS 32 HB2 HIS 32 7.756 -13.975 1.134 265 HB3 HIS 32 HB1 HIS 32 6.301 -13.946 0.137 266 HD1 HIS 32 HD1 HIS 32 4.667 -16.058 0.416 267 HD2 HIS 32 HD2 HIS 32 7.616 -15.670 3.334 268 HE1 HIS 32 HE1 HIS 32 3.969 -17.547 2.342 269 H GLU 33 HN GLU 33 7.760 -15.301 -3.034 270 HA GLU 33 HA GLU 33 6.493 -16.238 -4.756 271 HB2 GLU 33 HB2 GLU 33 6.952 -18.365 -3.456 272 HB3 GLU 33 HB1 GLU 33 5.385 -18.145 -2.682 273 HG2 GLU 33 HG2 GLU 33 4.261 -18.187 -4.843 274 HG3 GLU 33 HG1 GLU 33 5.813 -18.328 -5.670 275 H SER 34 HN SER 34 4.790 -15.633 -1.714 276 HA SER 34 HA SER 34 2.232 -15.204 -3.109 277 HB2 SER 34 HB2 SER 34 3.090 -14.857 -0.221 278 HB3 SER 34 HB1 SER 34 1.459 -14.541 -0.804 279 HG SER 34 HG SER 34 2.785 -16.927 -0.380 280 H ILE 35 HN ILE 35 4.752 -13.312 -1.467 281 HA ILE 35 HA ILE 35 3.437 -10.800 -2.413 282 HB ILE 35 HB ILE 35 5.583 -11.264 -0.323 283 HG12 ILE 35 HG12 ILE 35 2.760 -10.200 -0.016 284 HG13 ILE 35 HG11 ILE 35 3.168 -11.902 0.202 285 HG21 ILE 35 HG21 ILE 35 5.059 -8.775 0.121 286 HG22 ILE 35 HG22 ILE 35 4.332 -8.770 -1.487 287 HG23 ILE 35 HG23 ILE 35 6.044 -9.144 -1.296 288 HD11 ILE 35 HD11 ILE 35 4.766 -11.315 1.973 289 HD12 ILE 35 HD12 ILE 35 3.166 -10.681 2.361 290 HD13 ILE 35 HD13 ILE 35 4.414 -9.602 1.737 291 H SER 36 HN SER 36 4.468 -9.479 -3.826 292 HA SER 36 HA SER 36 6.772 -10.572 -5.283 293 HB2 SER 36 HB2 SER 36 4.743 -9.385 -6.318 294 HB3 SER 36 HB1 SER 36 5.448 -7.890 -5.715 295 HG SER 36 HG SER 36 6.882 -7.983 -7.244 296 H GLN 37 HN GLN 37 6.065 -7.440 -3.697 297 HA GLN 37 HA GLN 37 8.768 -7.367 -2.565 298 HB2 GLN 37 HB2 GLN 37 9.318 -5.192 -3.702 299 HB3 GLN 37 HB1 GLN 37 9.289 -6.582 -4.789 300 HG2 GLN 37 HG2 GLN 37 6.964 -6.008 -5.436 301 HG3 GLN 37 HG1 GLN 37 7.040 -4.588 -4.391 302 HE21 GLN 37 HE21 GLN 37 9.812 -3.881 -5.010 303 HE22 GLN 37 HE22 GLN 37 9.839 -3.330 -6.616 304 H VAL 38 HN VAL 38 9.091 -5.444 -1.240 305 HA VAL 38 HA VAL 38 6.608 -3.956 -0.498 306 HB VAL 38 HB VAL 38 7.034 -4.354 1.901 307 HG11 VAL 38 HG11 VAL 38 6.324 -6.717 1.949 308 HG12 VAL 38 HG12 VAL 38 6.815 -6.899 0.266 309 HG13 VAL 38 HG13 VAL 38 5.482 -5.825 0.685 310 HG21 VAL 38 HG21 VAL 38 9.304 -6.007 0.783 311 HG22 VAL 38 HG22 VAL 38 8.631 -6.342 2.379 312 HG23 VAL 38 HG23 VAL 38 9.357 -4.772 2.041 313 H GLY 39 HN GLY 39 7.101 -1.998 0.776 314 HA2 GLY 39 HA2 GLY 39 9.769 -1.149 1.324 315 HA3 GLY 39 HA1 GLY 39 9.323 -0.560 -0.275 316 H LEU 40 HN LEU 40 9.482 1.590 0.619 317 HA LEU 40 HA LEU 40 7.068 2.412 2.201 318 HB2 LEU 40 HB2 LEU 40 9.929 3.351 2.364 319 HB3 LEU 40 HB1 LEU 40 8.596 4.314 3.003 320 HG LEU 40 HG LEU 40 8.792 1.410 3.807 321 HD11 LEU 40 HD11 LEU 40 10.515 3.678 4.815 322 HD12 LEU 40 HD12 LEU 40 11.015 2.069 4.295 323 HD13 LEU 40 HD13 LEU 40 10.147 2.271 5.816 324 HD21 LEU 40 HD21 LEU 40 7.779 2.326 5.879 325 HD22 LEU 40 HD22 LEU 40 6.827 2.767 4.465 326 HD23 LEU 40 HD23 LEU 40 7.893 3.952 5.212 327 H LEU 41 HN LEU 41 6.108 4.393 1.611 328 HA LEU 41 HA LEU 41 6.928 5.388 -1.104 329 HB2 LEU 41 HB2 LEU 41 4.243 5.715 0.257 330 HB3 LEU 41 HB1 LEU 41 4.639 6.020 -1.428 331 HG LEU 41 HG LEU 41 4.635 3.342 -0.038 332 HD11 LEU 41 HD11 LEU 41 2.936 2.894 -1.918 333 HD12 LEU 41 HD12 LEU 41 2.881 4.643 -2.118 334 HD13 LEU 41 HD13 LEU 41 2.405 3.917 -0.583 335 HD21 LEU 41 HD21 LEU 41 5.656 4.227 -2.739 336 HD22 LEU 41 HD22 LEU 41 5.055 2.584 -2.514 337 HD23 LEU 41 HD23 LEU 41 6.425 3.159 -1.565 338 H GLY 42 HN GLY 42 7.785 7.355 -1.153 339 HA2 GLY 42 HA2 GLY 42 7.683 9.079 1.238 340 HA3 GLY 42 HA1 GLY 42 8.736 9.298 -0.155 341 H ASP 43 HN ASP 43 5.589 9.981 1.185 342 HA ASP 43 HA ASP 43 4.841 11.525 -1.260 343 HB2 ASP 43 HB2 ASP 43 3.269 10.579 1.143 344 HB3 ASP 43 HB1 ASP 43 2.627 11.737 -0.023 345 H GLU 44 HN GLU 44 4.005 13.702 -0.934 346 HA GLU 44 HA GLU 44 5.736 15.319 0.708 347 HB2 GLU 44 HB2 GLU 44 4.314 17.188 -0.105 348 HB3 GLU 44 HB1 GLU 44 4.828 16.132 -1.421 349 HG2 GLU 44 HG2 GLU 44 2.657 14.920 -1.260 350 HG3 GLU 44 HG1 GLU 44 2.138 16.061 -0.019 351 H THR 45 HN THR 45 2.740 13.716 1.305 352 HA THR 45 HA THR 45 2.025 15.512 3.555 353 HB THR 45 HB THR 45 -0.036 14.389 3.603 354 HG1 THR 45 HG1 THR 45 0.606 12.297 3.787 355 HG21 THR 45 HG21 THR 45 -0.782 14.275 1.295 356 HG22 THR 45 HG22 THR 45 0.872 14.069 0.730 357 HG23 THR 45 HG23 THR 45 0.370 15.598 1.449 358 H GLY 46 HN GLY 46 3.979 12.792 2.993 359 HA2 GLY 46 HA2 GLY 46 5.115 12.463 5.414 360 HA3 GLY 46 HA1 GLY 46 3.581 11.638 5.688 361 H ILE 47 HN ILE 47 4.509 9.587 5.900 362 HA ILE 47 HA ILE 47 5.407 8.356 3.337 363 HB ILE 47 HB ILE 47 7.176 7.113 4.508 364 HG12 ILE 47 HG12 ILE 47 6.494 8.866 6.893 365 HG13 ILE 47 HG11 ILE 47 6.099 7.154 6.775 366 HG21 ILE 47 HG21 ILE 47 7.498 9.471 3.499 367 HG22 ILE 47 HG22 ILE 47 8.743 8.886 4.597 368 HG23 ILE 47 HG23 ILE 47 7.538 10.041 5.166 369 HD11 ILE 47 HD11 ILE 47 8.166 7.391 8.025 370 HD12 ILE 47 HD12 ILE 47 8.874 8.363 6.734 371 HD13 ILE 47 HD13 ILE 47 8.523 6.656 6.462 372 H ILE 48 HN ILE 48 5.181 5.993 3.339 373 HA ILE 48 HA ILE 48 3.711 4.727 5.509 374 HB ILE 48 HB ILE 48 1.906 6.025 4.407 375 HG12 ILE 48 HG12 ILE 48 1.614 3.071 3.828 376 HG13 ILE 48 HG11 ILE 48 1.574 3.731 5.463 377 HG21 ILE 48 HG21 ILE 48 1.227 5.455 2.131 378 HG22 ILE 48 HG22 ILE 48 2.533 4.282 2.000 379 HG23 ILE 48 HG23 ILE 48 2.900 6.002 2.129 380 HD11 ILE 48 HD11 ILE 48 -0.356 5.076 4.959 381 HD12 ILE 48 HD12 ILE 48 -0.700 3.444 4.381 382 HD13 ILE 48 HD13 ILE 48 -0.235 4.705 3.239 383 H LYS 49 HN LYS 49 3.324 2.443 5.064 384 HA LYS 49 HA LYS 49 5.414 1.305 3.342 385 HB2 LYS 49 HB2 LYS 49 3.421 0.075 5.242 386 HB3 LYS 49 HB1 LYS 49 4.600 -0.858 4.318 387 HG2 LYS 49 HG2 LYS 49 6.441 0.367 5.351 388 HG3 LYS 49 HG1 LYS 49 5.304 1.408 6.206 389 HD2 LYS 49 HD2 LYS 49 5.815 -0.170 7.861 390 HD3 LYS 49 HD1 LYS 49 4.354 -0.863 7.162 391 HE2 LYS 49 HE2 LYS 49 6.133 -2.565 7.428 392 HE3 LYS 49 HE1 LYS 49 5.714 -2.333 5.732 393 HZ1 LYS 49 HZ1 LYS 49 8.212 -2.206 6.745 394 HZ2 LYS 49 HZ2 LYS 49 7.779 -0.565 6.675 395 HZ3 LYS 49 HZ3 LYS 49 7.725 -1.522 5.272 396 H PHE 50 HN PHE 50 4.838 -0.612 1.843 397 HA PHE 50 HA PHE 50 2.080 -0.688 0.933 398 HB2 PHE 50 HB2 PHE 50 2.416 0.132 -1.268 399 HB3 PHE 50 HB1 PHE 50 3.193 1.321 -0.227 400 HD1 PHE 50 HD1 PHE 50 5.687 1.318 0.033 401 HD2 PHE 50 HD2 PHE 50 3.693 -1.216 -2.800 402 HE1 PHE 50 HE1 PHE 50 7.823 0.972 -1.160 403 HE2 PHE 50 HE2 PHE 50 5.844 -1.580 -3.982 404 HZ PHE 50 HZ PHE 50 7.909 -0.489 -3.159 405 H THR 51 HN THR 51 1.762 -2.522 -0.491 406 HA THR 51 HA THR 51 4.111 -4.345 -0.809 407 HB THR 51 HB THR 51 1.399 -5.072 0.336 408 HG1 THR 51 HG1 THR 51 3.882 -5.512 1.551 409 HG21 THR 51 HG21 THR 51 2.607 -7.325 0.631 410 HG22 THR 51 HG22 THR 51 3.751 -6.726 -0.568 411 HG23 THR 51 HG23 THR 51 2.052 -6.919 -0.992 412 H ILE 52 HN ILE 52 4.214 -5.173 -2.793 413 HA ILE 52 HA ILE 52 1.823 -4.940 -4.591 414 HB ILE 52 HB ILE 52 4.756 -5.242 -5.289 415 HG12 ILE 52 HG12 ILE 52 2.910 -2.854 -5.593 416 HG13 ILE 52 HG11 ILE 52 4.053 -3.044 -4.265 417 HG21 ILE 52 HG21 ILE 52 3.370 -6.230 -7.005 418 HG22 ILE 52 HG22 ILE 52 3.881 -4.645 -7.586 419 HG23 ILE 52 HG23 ILE 52 2.250 -4.869 -6.954 420 HD11 ILE 52 HD11 ILE 52 5.926 -3.064 -5.797 421 HD12 ILE 52 HD12 ILE 52 4.930 -1.659 -6.177 422 HD13 ILE 52 HD13 ILE 52 4.843 -3.101 -7.188 423 H TRP 53 HN TRP 53 0.855 -6.784 -5.295 424 HA TRP 53 HA TRP 53 1.998 -9.370 -4.449 425 HB2 TRP 53 HB2 TRP 53 -0.655 -8.516 -5.632 426 HB3 TRP 53 HB1 TRP 53 -0.233 -10.208 -5.358 427 HD1 TRP 53 HD1 TRP 53 -0.742 -6.917 -3.442 428 HE1 TRP 53 HE1 TRP 53 -1.275 -7.475 -0.986 429 HE3 TRP 53 HE3 TRP 53 -0.085 -11.974 -3.539 430 HZ2 TRP 53 HZ2 TRP 53 -1.404 -9.772 0.716 431 HZ3 TRP 53 HZ3 TRP 53 -0.421 -13.324 -1.490 432 HH2 TRP 53 HH2 TRP 53 -1.077 -12.232 0.637 433 H LYS 54 HN LYS 54 2.634 -10.974 -5.849 434 HA LYS 54 HA LYS 54 3.682 -10.280 -8.407 435 HB2 LYS 54 HB2 LYS 54 3.010 -12.967 -7.177 436 HB3 LYS 54 HB1 LYS 54 3.874 -12.786 -8.703 437 HG2 LYS 54 HG2 LYS 54 5.614 -11.446 -7.527 438 HG3 LYS 54 HG1 LYS 54 4.762 -11.716 -6.005 439 HD2 LYS 54 HD2 LYS 54 5.049 -14.147 -6.259 440 HD3 LYS 54 HD1 LYS 54 5.876 -13.898 -7.796 441 HE2 LYS 54 HE2 LYS 54 7.614 -12.563 -6.611 442 HE3 LYS 54 HE1 LYS 54 6.805 -12.911 -5.085 443 HZ1 LYS 54 HZ1 LYS 54 7.159 -15.323 -6.445 444 HZ2 LYS 54 HZ2 LYS 54 7.881 -14.822 -4.990 445 HZ3 LYS 54 HZ3 LYS 54 8.642 -14.501 -6.475 446 H ASN 55 HN ASN 55 0.608 -11.702 -7.416 447 HA ASN 55 HA ASN 55 -0.326 -12.561 -9.949 448 HB2 ASN 55 HB2 ASN 55 -2.587 -12.347 -8.962 449 HB3 ASN 55 HB1 ASN 55 -1.464 -13.108 -7.834 450 HD21 ASN 55 HD21 ASN 55 -3.185 -12.231 -6.221 451 HD22 ASN 55 HD22 ASN 55 -2.965 -10.647 -5.651 452 H ALA 56 HN ALA 56 0.448 -9.431 -8.967 453 HA ALA 56 HA ALA 56 -1.587 -8.049 -10.573 454 HB1 ALA 56 HB1 ALA 56 -0.557 -6.041 -9.840 455 HB2 ALA 56 HB2 ALA 56 0.986 -6.844 -9.539 456 HB3 ALA 56 HB3 ALA 56 -0.386 -7.137 -8.470 457 H GLU 57 HN GLU 57 1.582 -9.389 -11.004 458 HA GLU 57 HA GLU 57 3.046 -9.439 -12.829 459 HB2 GLU 57 HB2 GLU 57 0.376 -9.152 -14.236 460 HB3 GLU 57 HB1 GLU 57 1.888 -9.548 -15.056 461 HG2 GLU 57 HG2 GLU 57 2.148 -11.552 -13.672 462 HG3 GLU 57 HG1 GLU 57 0.680 -11.149 -12.783 463 H LEU 58 HN LEU 58 2.946 -6.943 -11.618 464 HA LEU 58 HA LEU 58 2.866 -5.027 -13.878 465 HB2 LEU 58 HB2 LEU 58 3.067 -4.401 -10.935 466 HB3 LEU 58 HB1 LEU 58 2.750 -3.261 -12.241 467 HG LEU 58 HG LEU 58 0.968 -5.601 -11.536 468 HD11 LEU 58 HD11 LEU 58 -0.590 -3.741 -10.792 469 HD12 LEU 58 HD12 LEU 58 0.792 -2.651 -10.898 470 HD13 LEU 58 HD13 LEU 58 0.817 -3.997 -9.758 471 HD21 LEU 58 HD21 LEU 58 0.845 -3.400 -13.603 472 HD22 LEU 58 HD22 LEU 58 -0.631 -4.163 -13.013 473 HD23 LEU 58 HD23 LEU 58 0.592 -5.132 -13.821 474 HA PRO 59 HA PRO 59 7.292 -4.758 -14.124 475 HB2 PRO 59 HB2 PRO 59 7.019 -1.778 -14.039 476 HB3 PRO 59 HB1 PRO 59 7.781 -2.805 -15.268 477 HG2 PRO 59 HG2 PRO 59 5.395 -1.623 -15.659 478 HG3 PRO 59 HG1 PRO 59 5.801 -3.202 -16.354 479 HD2 PRO 59 HD2 PRO 59 4.001 -2.560 -14.068 480 HD3 PRO 59 HD1 PRO 59 3.947 -3.894 -15.238 481 H LEU 60 HN LEU 60 9.090 -4.475 -12.772 482 HA LEU 60 HA LEU 60 8.593 -4.102 -9.971 483 HB2 LEU 60 HB2 LEU 60 11.245 -4.086 -11.442 484 HB3 LEU 60 HB1 LEU 60 10.997 -4.401 -9.724 485 HG LEU 60 HG LEU 60 9.893 -6.086 -11.992 486 HD11 LEU 60 HD11 LEU 60 12.318 -6.345 -11.750 487 HD12 LEU 60 HD12 LEU 60 11.500 -7.782 -11.139 488 HD13 LEU 60 HD13 LEU 60 12.136 -6.585 -10.012 489 HD21 LEU 60 HD21 LEU 60 8.362 -6.374 -10.236 490 HD22 LEU 60 HD22 LEU 60 9.591 -6.158 -8.989 491 HD23 LEU 60 HD23 LEU 60 9.522 -7.659 -9.913 492 H LEU 61 HN LEU 61 9.007 -2.393 -8.640 493 HA LEU 61 HA LEU 61 9.147 0.251 -9.878 494 HB2 LEU 61 HB2 LEU 61 8.858 -0.775 -7.052 495 HB3 LEU 61 HB1 LEU 61 9.110 0.941 -7.376 496 HG LEU 61 HG LEU 61 7.131 0.930 -8.874 497 HD11 LEU 61 HD11 LEU 61 5.611 -1.150 -8.568 498 HD12 LEU 61 HD12 LEU 61 7.079 -1.974 -8.039 499 HD13 LEU 61 HD13 LEU 61 6.983 -1.294 -9.665 500 HD21 LEU 61 HD21 LEU 61 6.783 1.586 -6.569 501 HD22 LEU 61 HD22 LEU 61 6.722 -0.099 -6.052 502 HD23 LEU 61 HD23 LEU 61 5.428 0.565 -7.049 503 H GLU 62 HN GLU 62 10.877 1.650 -9.832 504 HA GLU 62 HA GLU 62 13.497 0.487 -9.055 505 HB2 GLU 62 HB2 GLU 62 12.718 2.925 -10.663 506 HB3 GLU 62 HB1 GLU 62 14.387 2.512 -10.268 507 HG2 GLU 62 HG2 GLU 62 14.144 0.349 -11.388 508 HG3 GLU 62 HG1 GLU 62 12.450 0.697 -11.735 509 H GLN 63 HN GLN 63 14.657 1.203 -7.342 510 HA GLN 63 HA GLN 63 13.421 2.909 -5.387 511 HB2 GLN 63 HB2 GLN 63 14.983 1.055 -4.824 512 HB3 GLN 63 HB1 GLN 63 16.300 1.976 -5.549 513 HG2 GLN 63 HG2 GLN 63 16.002 3.769 -3.946 514 HG3 GLN 63 HG1 GLN 63 14.569 2.995 -3.281 515 HE21 GLN 63 HE21 GLN 63 16.823 3.593 -1.619 516 HE22 GLN 63 HE22 GLN 63 17.529 2.131 -1.126 517 H GLY 64 HN GLY 64 13.723 5.055 -4.967 518 HA2 GLY 64 HA2 GLY 64 14.770 7.172 -5.048 519 HA3 GLY 64 HA1 GLY 64 15.947 6.537 -6.198 520 H GLU 65 HN GLU 65 13.165 5.446 -7.422 521 HA GLU 65 HA GLU 65 12.880 7.814 -9.222 522 HB2 GLU 65 HB2 GLU 65 12.103 4.910 -9.583 523 HB3 GLU 65 HB1 GLU 65 11.799 6.184 -10.764 524 HG2 GLU 65 HG2 GLU 65 14.556 5.538 -9.689 525 HG3 GLU 65 HG1 GLU 65 13.913 4.859 -11.185 526 H SER 66 HN SER 66 10.748 8.363 -9.977 527 HA SER 66 HA SER 66 8.725 8.186 -7.804 528 HB2 SER 66 HB2 SER 66 7.574 9.974 -9.169 529 HB3 SER 66 HB1 SER 66 9.155 10.426 -8.544 530 HG SER 66 HG SER 66 8.644 9.374 -11.133 531 H TYR 67 HN TYR 67 6.589 7.455 -8.223 532 HA TYR 67 HA TYR 67 6.070 6.217 -10.888 533 HB2 TYR 67 HB2 TYR 67 6.066 4.803 -8.216 534 HB3 TYR 67 HB1 TYR 67 5.115 4.202 -9.575 535 HD1 TYR 67 HD1 TYR 67 6.293 3.713 -11.772 536 HD2 TYR 67 HD2 TYR 67 8.405 4.400 -8.097 537 HE1 TYR 67 HE1 TYR 67 8.309 2.640 -12.733 538 HE2 TYR 67 HE2 TYR 67 10.423 3.328 -9.057 539 HH TYR 67 HH TYR 67 10.523 1.368 -11.395 540 H LEU 68 HN LEU 68 3.913 5.989 -11.366 541 HA LEU 68 HA LEU 68 2.062 7.633 -9.695 542 HB2 LEU 68 HB2 LEU 68 2.225 8.378 -11.987 543 HB3 LEU 68 HB1 LEU 68 1.919 6.753 -12.589 544 HG LEU 68 HG LEU 68 -0.334 6.797 -11.656 545 HD11 LEU 68 HD11 LEU 68 -0.200 8.081 -9.682 546 HD12 LEU 68 HD12 LEU 68 -1.112 9.124 -10.771 547 HD13 LEU 68 HD13 LEU 68 0.606 9.417 -10.504 548 HD21 LEU 68 HD21 LEU 68 -1.205 8.841 -12.965 549 HD22 LEU 68 HD22 LEU 68 -0.274 7.645 -13.864 550 HD23 LEU 68 HD23 LEU 68 0.486 9.152 -13.353 551 H LEU 69 HN LEU 69 0.364 6.650 -8.639 552 HA LEU 69 HA LEU 69 -0.054 3.726 -9.163 553 HB2 LEU 69 HB2 LEU 69 -0.688 5.293 -6.649 554 HB3 LEU 69 HB1 LEU 69 -0.691 3.547 -6.855 555 HG LEU 69 HG LEU 69 1.760 5.302 -7.150 556 HD11 LEU 69 HD11 LEU 69 0.950 3.419 -4.916 557 HD12 LEU 69 HD12 LEU 69 0.967 5.181 -4.814 558 HD13 LEU 69 HD13 LEU 69 2.477 4.293 -5.025 559 HD21 LEU 69 HD21 LEU 69 1.238 2.335 -7.398 560 HD22 LEU 69 HD22 LEU 69 2.833 2.928 -6.937 561 HD23 LEU 69 HD23 LEU 69 2.135 3.395 -8.485 562 H ARG 70 HN ARG 70 -1.834 3.464 -10.365 563 HA ARG 70 HA ARG 70 -4.248 5.141 -9.748 564 HB2 ARG 70 HB2 ARG 70 -3.219 4.014 -12.347 565 HB3 ARG 70 HB1 ARG 70 -4.906 4.490 -12.152 566 HG2 ARG 70 HG2 ARG 70 -4.230 6.757 -11.538 567 HG3 ARG 70 HG1 ARG 70 -2.536 6.297 -11.638 568 HD2 ARG 70 HD2 ARG 70 -2.760 5.822 -14.022 569 HD3 ARG 70 HD1 ARG 70 -4.489 6.158 -13.946 570 HE ARG 70 HE ARG 70 -2.952 8.418 -13.012 571 HH11 ARG 70 HH21 ARG 70 -4.008 6.679 -15.807 572 HH12 ARG 70 HH22 ARG 70 -3.950 8.064 -16.845 573 HH21 ARG 70 HH11 ARG 70 -2.875 10.224 -14.357 574 HH22 ARG 70 HH12 ARG 70 -3.309 10.067 -16.027 575 H SER 71 HN SER 71 -6.198 4.129 -9.558 576 HA SER 71 HA SER 71 -7.683 2.438 -8.998 577 HB2 SER 71 HB2 SER 71 -7.675 1.738 -11.244 578 HB3 SER 71 HB1 SER 71 -6.023 1.145 -11.157 579 HG SER 71 HG SER 71 -8.407 0.000 -10.269 580 H VAL 72 HN VAL 72 -5.951 2.725 -7.003 581 HA VAL 72 HA VAL 72 -5.022 -0.059 -6.329 582 HB VAL 72 HB VAL 72 -3.487 1.028 -4.723 583 HG11 VAL 72 HG11 VAL 72 -3.095 2.265 -7.453 584 HG12 VAL 72 HG12 VAL 72 -2.938 0.526 -7.196 585 HG13 VAL 72 HG13 VAL 72 -1.877 1.640 -6.344 586 HG21 VAL 72 HG21 VAL 72 -4.367 3.615 -6.045 587 HG22 VAL 72 HG22 VAL 72 -3.159 3.440 -4.772 588 HG23 VAL 72 HG23 VAL 72 -4.856 3.116 -4.426 589 H VAL 73 HN VAL 73 -5.159 -0.541 -3.978 590 HA VAL 73 HA VAL 73 -7.601 0.707 -2.740 591 HB VAL 73 HB VAL 73 -8.045 -1.552 -3.682 592 HG11 VAL 73 HG11 VAL 73 -6.116 -2.550 -1.575 593 HG12 VAL 73 HG12 VAL 73 -5.685 -2.385 -3.278 594 HG13 VAL 73 HG13 VAL 73 -6.963 -3.500 -2.795 595 HG21 VAL 73 HG21 VAL 73 -9.145 -2.406 -1.712 596 HG22 VAL 73 HG22 VAL 73 -9.190 -0.646 -1.626 597 HG23 VAL 73 HG23 VAL 73 -8.027 -1.548 -0.653 598 H VAL 74 HN VAL 74 -7.609 0.878 -0.501 599 HA VAL 74 HA VAL 74 -4.907 0.958 0.726 600 HB VAL 74 HB VAL 74 -7.587 1.964 1.720 601 HG11 VAL 74 HG11 VAL 74 -4.767 2.218 2.800 602 HG12 VAL 74 HG12 VAL 74 -6.163 1.514 3.614 603 HG13 VAL 74 HG13 VAL 74 -6.098 3.250 3.316 604 HG21 VAL 74 HG21 VAL 74 -5.218 3.280 0.368 605 HG22 VAL 74 HG22 VAL 74 -6.463 4.193 1.221 606 HG23 VAL 74 HG23 VAL 74 -6.888 3.232 -0.196 607 H GLY 75 HN GLY 75 -4.240 -0.495 2.244 608 HA2 GLY 75 HA2 GLY 75 -6.205 -2.552 3.166 609 HA3 GLY 75 HA1 GLY 75 -4.463 -2.792 3.037 610 H GLU 76 HN GLU 76 -6.230 -3.125 5.382 611 HA GLU 76 HA GLU 76 -5.347 -0.952 7.202 612 HB2 GLU 76 HB2 GLU 76 -7.683 -1.791 7.322 613 HB3 GLU 76 HB1 GLU 76 -7.071 -3.394 7.735 614 HG2 GLU 76 HG2 GLU 76 -6.017 -2.498 9.759 615 HG3 GLU 76 HG1 GLU 76 -6.547 -0.871 9.334 616 H TYR 77 HN TYR 77 -3.228 -1.242 7.752 617 HA TYR 77 HA TYR 77 -2.241 -3.979 8.396 618 HB2 TYR 77 HB2 TYR 77 -0.950 -2.410 6.884 619 HB3 TYR 77 HB1 TYR 77 -0.671 -1.389 8.294 620 HD1 TYR 77 HD2 TYR 77 0.676 -2.214 10.197 621 HD2 TYR 77 HD1 TYR 77 0.158 -4.545 6.625 622 HE1 TYR 77 HE2 TYR 77 2.567 -3.670 10.872 623 HE2 TYR 77 HE1 TYR 77 2.048 -6.002 7.302 624 HH TYR 77 HH TYR 77 3.718 -5.518 10.411 625 H ASN 78 HN ASN 78 -2.848 -4.499 10.425 626 HA ASN 78 HA ASN 78 -3.290 -4.287 12.728 627 HB2 ASN 78 HB2 ASN 78 -0.481 -3.209 12.378 628 HB3 ASN 78 HB1 ASN 78 -1.195 -3.540 13.958 629 HD21 ASN 78 HD21 ASN 78 1.081 -5.028 13.049 630 HD22 ASN 78 HD22 ASN 78 0.597 -6.632 12.775 631 H ASP 79 HN ASP 79 -1.301 -1.681 13.486 632 HA ASP 79 HA ASP 79 -3.676 0.041 13.972 633 HB2 ASP 79 HB2 ASP 79 -2.030 -0.430 15.812 634 HB3 ASP 79 HB1 ASP 79 -0.806 0.435 14.879 635 H ARG 80 HN ARG 80 -0.935 -0.203 11.872 636 HA ARG 80 HA ARG 80 -1.168 2.658 11.063 637 HB2 ARG 80 HB2 ARG 80 0.837 0.500 10.380 638 HB3 ARG 80 HB1 ARG 80 0.840 2.107 9.651 639 HG2 ARG 80 HG2 ARG 80 1.046 3.131 11.883 640 HG3 ARG 80 HG1 ARG 80 1.039 1.527 12.620 641 HD2 ARG 80 HD2 ARG 80 3.083 0.940 11.362 642 HD3 ARG 80 HD1 ARG 80 3.097 2.549 10.639 643 HE ARG 80 HE ARG 80 3.064 2.646 13.544 644 HH11 ARG 80 HH21 ARG 80 5.002 2.231 10.713 645 HH12 ARG 80 HH22 ARG 80 6.447 2.825 11.461 646 HH21 ARG 80 HH11 ARG 80 4.939 3.423 14.523 647 HH22 ARG 80 HH12 ARG 80 6.411 3.500 13.614 648 H PHE 81 HN PHE 81 -1.329 3.177 8.784 649 HA PHE 81 HA PHE 81 -3.178 1.329 7.374 650 HB2 PHE 81 HB2 PHE 81 -2.358 4.176 6.713 651 HB3 PHE 81 HB1 PHE 81 -3.649 3.251 5.944 652 HD1 PHE 81 HD1 PHE 81 -2.584 4.947 9.047 653 HD2 PHE 81 HD2 PHE 81 -5.759 2.834 7.072 654 HE1 PHE 81 HE1 PHE 81 -4.163 5.656 10.824 655 HE2 PHE 81 HE2 PHE 81 -7.334 3.538 8.848 656 HZ PHE 81 HZ PHE 81 -6.538 4.951 10.724 657 H GLN 82 HN GLN 82 -2.743 0.625 5.204 658 HA GLN 82 HA GLN 82 -0.030 1.182 4.116 659 HB2 GLN 82 HB2 GLN 82 0.227 -0.847 5.495 660 HB3 GLN 82 HB1 GLN 82 -1.120 -1.606 4.648 661 HG2 GLN 82 HG2 GLN 82 0.126 -1.513 2.529 662 HG3 GLN 82 HG1 GLN 82 1.452 -0.680 3.334 663 HE21 GLN 82 HE21 GLN 82 1.764 -3.245 2.007 664 HE22 GLN 82 HE22 GLN 82 2.172 -4.387 3.195 665 H VAL 83 HN VAL 83 0.112 0.811 1.856 666 HA VAL 83 HA VAL 83 -2.553 0.694 0.497 667 HB VAL 83 HB VAL 83 0.103 1.454 -0.741 668 HG11 VAL 83 HG11 VAL 83 -1.290 2.533 -2.392 669 HG12 VAL 83 HG12 VAL 83 -2.740 2.219 -1.439 670 HG13 VAL 83 HG13 VAL 83 -1.870 0.879 -2.188 671 HG21 VAL 83 HG21 VAL 83 -0.321 2.908 1.219 672 HG22 VAL 83 HG22 VAL 83 -1.938 3.256 0.604 673 HG23 VAL 83 HG23 VAL 83 -0.518 3.801 -0.289 674 H GLN 84 HN GLN 84 -3.095 -1.167 -0.512 675 HA GLN 84 HA GLN 84 -0.937 -3.152 -1.128 676 HB2 GLN 84 HB2 GLN 84 -3.927 -3.503 -0.745 677 HB3 GLN 84 HB1 GLN 84 -2.795 -4.794 -1.152 678 HG2 GLN 84 HG2 GLN 84 -1.559 -4.419 0.924 679 HG3 GLN 84 HG1 GLN 84 -2.609 -3.060 1.326 680 HE21 GLN 84 HE21 GLN 84 -2.198 -6.373 1.815 681 HE22 GLN 84 HE22 GLN 84 -3.769 -6.757 2.333 682 H VAL 85 HN VAL 85 -0.461 -3.481 -3.213 683 HA VAL 85 HA VAL 85 -2.333 -2.446 -5.307 684 HB VAL 85 HB VAL 85 0.605 -3.159 -5.470 685 HG11 VAL 85 HG11 VAL 85 -0.447 -3.525 -7.608 686 HG12 VAL 85 HG12 VAL 85 0.383 -1.971 -7.694 687 HG13 VAL 85 HG13 VAL 85 -1.365 -2.026 -7.469 688 HG21 VAL 85 HG21 VAL 85 0.012 -1.101 -4.136 689 HG22 VAL 85 HG22 VAL 85 -0.769 -0.457 -5.579 690 HG23 VAL 85 HG23 VAL 85 0.968 -0.759 -5.579 691 H ASN 86 HN ASN 86 -3.309 -3.865 -6.667 692 HA ASN 86 HA ASN 86 -2.244 -6.625 -6.935 693 HB2 ASN 86 HB2 ASN 86 -4.308 -7.673 -6.313 694 HB3 ASN 86 HB1 ASN 86 -3.919 -6.542 -5.016 695 HD21 ASN 86 HD21 ASN 86 -5.517 -5.012 -4.510 696 HD22 ASN 86 HD22 ASN 86 -6.872 -4.676 -5.477 697 H LYS 87 HN LYS 87 -3.999 -7.811 -8.421 698 HA LYS 87 HA LYS 87 -3.775 -6.917 -11.026 699 HB2 LYS 87 HB2 LYS 87 -4.803 -9.108 -10.141 700 HB3 LYS 87 HB1 LYS 87 -6.324 -8.222 -10.059 701 HG2 LYS 87 HG2 LYS 87 -6.223 -7.733 -12.441 702 HG3 LYS 87 HG1 LYS 87 -4.626 -8.470 -12.558 703 HD2 LYS 87 HD2 LYS 87 -5.581 -10.646 -11.886 704 HD3 LYS 87 HD1 LYS 87 -7.181 -9.908 -11.784 705 HE2 LYS 87 HE2 LYS 87 -7.088 -9.335 -14.172 706 HE3 LYS 87 HE1 LYS 87 -5.472 -10.029 -14.287 707 HZ1 LYS 87 HZ1 LYS 87 -8.007 -11.445 -13.687 708 HZ2 LYS 87 HZ2 LYS 87 -6.475 -12.156 -13.495 709 HZ3 LYS 87 HZ3 LYS 87 -6.997 -11.657 -15.034 710 H ASN 88 HN ASN 88 -5.525 -6.000 -12.490 711 HA ASN 88 HA ASN 88 -7.123 -4.367 -13.025 712 HB2 ASN 88 HB2 ASN 88 -8.178 -5.434 -10.792 713 HB3 ASN 88 HB1 ASN 88 -7.778 -3.853 -10.131 714 HD21 ASN 88 HD21 ASN 88 -9.436 -5.299 -12.990 715 HD22 ASN 88 HD22 ASN 88 -10.600 -4.070 -13.115 716 H SER 89 HN SER 89 -4.851 -3.829 -10.406 717 HA SER 89 HA SER 89 -5.000 -0.927 -10.559 718 HB2 SER 89 HB2 SER 89 -3.156 -0.927 -9.012 719 HB3 SER 89 HB1 SER 89 -4.260 -2.208 -8.521 720 HG SER 89 HG SER 89 -2.313 -2.915 -10.357 721 H SER 90 HN SER 90 -3.050 0.397 -11.170 722 HA SER 90 HA SER 90 -1.374 -0.862 -13.293 723 HB2 SER 90 HB2 SER 90 -1.797 1.155 -14.718 724 HB3 SER 90 HB1 SER 90 -3.222 0.146 -14.493 725 HG SER 90 HG SER 90 -3.624 1.631 -12.628 726 H ILE 91 HN ILE 91 0.550 0.444 -13.791 727 HA ILE 91 HA ILE 91 1.199 2.558 -11.811 728 HB ILE 91 HB ILE 91 2.879 0.076 -12.298 729 HG12 ILE 91 HG12 ILE 91 1.610 1.152 -9.757 730 HG13 ILE 91 HG11 ILE 91 0.946 -0.167 -10.714 731 HG21 ILE 91 HG21 ILE 91 4.347 1.988 -12.120 732 HG22 ILE 91 HG22 ILE 91 4.372 1.172 -10.562 733 HG23 ILE 91 HG23 ILE 91 3.420 2.639 -10.771 734 HD11 ILE 91 HD11 ILE 91 3.590 -0.123 -9.266 735 HD12 ILE 91 HD12 ILE 91 3.148 -1.365 -10.436 736 HD13 ILE 91 HD13 ILE 91 2.210 -1.175 -8.954 737 H GLU 92 HN GLU 92 2.343 4.190 -12.763 738 HA GLU 92 HA GLU 92 3.753 3.638 -15.350 739 HB2 GLU 92 HB2 GLU 92 1.522 4.679 -15.793 740 HB3 GLU 92 HB1 GLU 92 2.002 6.052 -14.797 741 HG2 GLU 92 HG2 GLU 92 3.902 6.500 -16.292 742 HG3 GLU 92 HG1 GLU 92 3.463 5.105 -17.279 743 H LYS 93 HN LYS 93 5.678 4.655 -15.538 744 HA LYS 93 HA LYS 93 6.874 5.817 -13.165 745 HB2 LYS 93 HB2 LYS 93 8.125 4.447 -14.844 746 HB3 LYS 93 HB1 LYS 93 7.955 5.770 -15.997 747 HG2 LYS 93 HG2 LYS 93 9.180 7.270 -14.493 748 HG3 LYS 93 HG1 LYS 93 9.302 5.988 -13.286 749 HD2 LYS 93 HD2 LYS 93 10.582 4.606 -14.889 750 HD3 LYS 93 HD1 LYS 93 10.475 5.899 -16.083 751 HE2 LYS 93 HE2 LYS 93 11.700 7.410 -14.578 752 HE3 LYS 93 HE1 LYS 93 11.784 6.143 -13.356 753 HZ1 LYS 93 HZ1 LYS 93 13.403 6.534 -15.673 754 HZ2 LYS 93 HZ2 LYS 93 12.736 4.972 -15.636 755 HZ3 LYS 93 HZ3 LYS 93 13.668 5.532 -14.330 756 H LEU 94 HN LEU 94 7.287 7.975 -12.713 757 HA LEU 94 HA LEU 94 5.946 9.962 -14.497 758 HB2 LEU 94 HB2 LEU 94 6.836 10.063 -11.604 759 HB3 LEU 94 HB1 LEU 94 6.171 11.448 -12.466 760 HG LEU 94 HG LEU 94 4.736 8.787 -12.210 761 HD11 LEU 94 HD11 LEU 94 3.290 10.098 -10.561 762 HD12 LEU 94 HD12 LEU 94 4.592 11.286 -10.514 763 HD13 LEU 94 HD13 LEU 94 4.891 9.631 -9.981 764 HD21 LEU 94 HD21 LEU 94 4.074 11.474 -13.403 765 HD22 LEU 94 HD22 LEU 94 2.772 10.544 -12.668 766 HD23 LEU 94 HD23 LEU 94 3.697 9.859 -13.997 767 H SER 95 HN SER 95 9.011 8.816 -13.614 768 HA SER 95 HA SER 95 11.183 9.620 -14.012 769 HB2 SER 95 HB2 SER 95 10.422 9.514 -16.328 770 HB3 SER 95 HB1 SER 95 9.638 11.082 -16.175 771 HG SER 95 HG SER 95 11.491 11.974 -16.555 772 H GLU 96 HN GLU 96 8.873 11.480 -12.635 773 HA GLU 96 HA GLU 96 10.513 13.941 -12.618 774 HB2 GLU 96 HB2 GLU 96 8.101 14.082 -13.256 775 HB3 GLU 96 HB1 GLU 96 7.700 13.616 -11.603 776 HG2 GLU 96 HG2 GLU 96 7.656 16.015 -11.652 777 HG3 GLU 96 HG1 GLU 96 9.155 15.572 -10.835 778 HA PRO 97 HA PRO 97 11.617 12.585 -8.447 779 HB2 PRO 97 HB2 PRO 97 13.147 14.747 -7.744 780 HB3 PRO 97 HB1 PRO 97 13.712 13.489 -8.863 781 HG2 PRO 97 HG2 PRO 97 12.626 16.206 -9.462 782 HG3 PRO 97 HG1 PRO 97 13.965 15.332 -10.229 783 HD2 PRO 97 HD2 PRO 97 11.454 15.508 -11.305 784 HD3 PRO 97 HD1 PRO 97 12.572 14.164 -11.633 785 H ILE 98 HN ILE 98 10.733 12.891 -6.438 786 HA ILE 98 HA ILE 98 8.975 15.300 -6.048 787 HB ILE 98 HB ILE 98 8.766 12.534 -4.841 788 HG12 ILE 98 HG12 ILE 98 6.937 13.947 -6.802 789 HG13 ILE 98 HG11 ILE 98 8.193 12.815 -7.302 790 HG21 ILE 98 HG21 ILE 98 7.941 14.176 -3.275 791 HG22 ILE 98 HG22 ILE 98 6.541 13.449 -4.061 792 HG23 ILE 98 HG23 ILE 98 7.100 15.048 -4.557 793 HD11 ILE 98 HD11 ILE 98 6.120 11.585 -7.125 794 HD12 ILE 98 HD12 ILE 98 5.824 12.228 -5.510 795 HD13 ILE 98 HD13 ILE 98 7.154 11.101 -5.781 796 H GLU 99 HN GLU 99 9.322 16.581 -4.269 797 HA GLU 99 HA GLU 99 11.714 15.964 -2.637 798 HB2 GLU 99 HB2 GLU 99 11.403 18.224 -3.671 799 HB3 GLU 99 HB1 GLU 99 9.969 18.448 -2.670 800 HG2 GLU 99 HG2 GLU 99 11.823 19.518 -1.550 801 HG3 GLU 99 HG1 GLU 99 11.423 18.066 -0.639 802 H VAL 100 HN VAL 100 11.449 14.914 -0.787 803 HA VAL 100 HA VAL 100 8.816 14.842 0.565 804 HB VAL 100 HB VAL 100 9.889 13.123 1.984 805 HG11 VAL 100 HG11 VAL 100 10.502 12.754 -0.968 806 HG12 VAL 100 HG12 VAL 100 8.939 12.457 -0.208 807 HG13 VAL 100 HG13 VAL 100 10.329 11.460 0.218 808 HG21 VAL 100 HG21 VAL 100 12.243 12.435 1.373 809 HG22 VAL 100 HG22 VAL 100 12.135 14.020 2.136 810 HG23 VAL 100 HG23 VAL 100 12.353 13.895 0.392 811 H GLY 101 HN GLY 101 11.546 16.762 0.569 812 HA2 GLY 101 HA2 GLY 101 11.719 17.287 3.435 813 HA3 GLY 101 HA1 GLY 101 12.546 18.187 2.162 814 H LEU 102 HN LEU 102 10.063 18.337 4.403 815 HA LEU 102 HA LEU 102 8.456 20.287 2.864 816 HB2 LEU 102 HB2 LEU 102 7.516 18.390 4.410 817 HB3 LEU 102 HB1 LEU 102 7.935 19.481 5.730 818 HG LEU 102 HG LEU 102 6.170 20.207 3.371 819 HD11 LEU 102 HD11 LEU 102 4.304 20.009 4.832 820 HD12 LEU 102 HD12 LEU 102 5.336 19.837 6.250 821 HD13 LEU 102 HD13 LEU 102 5.242 18.535 5.064 822 HD21 LEU 102 HD21 LEU 102 7.187 21.711 5.782 823 HD22 LEU 102 HD22 LEU 102 5.636 22.145 5.057 824 HD23 LEU 102 HD23 LEU 102 7.110 22.231 4.100 825 H GLU 103 HN GLU 103 9.273 22.259 2.863 826 HA GLU 103 HA GLU 103 10.189 24.285 3.575 827 HB2 GLU 103 HB2 GLU 103 8.153 24.124 5.047 828 HB3 GLU 103 HB1 GLU 103 9.182 23.422 6.296 829 HG2 GLU 103 HG2 GLU 103 9.043 25.775 6.757 830 HG3 GLU 103 HG1 GLU 103 10.650 25.488 6.093 831 H HIS 104 HN HIS 104 12.330 24.475 3.597 832 HA HIS 104 HA HIS 104 13.861 23.591 5.963 833 HB2 HIS 104 HB2 HIS 104 15.564 22.453 4.543 834 HB3 HIS 104 HB1 HIS 104 14.003 21.636 4.484 835 HD1 HIS 104 HD1 HIS 104 12.660 21.765 2.275 836 HD2 HIS 104 HD2 HIS 104 16.304 23.784 2.126 837 HE1 HIS 104 HE1 HIS 104 13.072 22.320 -0.161 838 H HIS 105 HN HIS 105 15.893 24.718 6.108 839 HA HIS 105 HA HIS 105 16.314 26.922 4.122 840 HB2 HIS 105 HB2 HIS 105 16.700 28.494 5.953 841 HB3 HIS 105 HB1 HIS 105 15.090 27.795 6.117 842 HD1 HIS 105 HD1 HIS 105 14.687 26.147 8.075 843 HD2 HIS 105 HD2 HIS 105 18.571 27.656 7.943 844 HE1 HIS 105 HE1 HIS 105 15.769 25.535 10.282 845 H HIS 106 HN HIS 106 17.661 24.338 4.527 846 HA HIS 106 HA HIS 106 19.821 23.466 4.829 847 HB2 HIS 106 HB2 HIS 106 20.209 24.973 2.911 848 HB3 HIS 106 HB1 HIS 106 20.526 26.306 4.020 849 HD1 HIS 106 HD1 HIS 106 22.780 26.306 5.287 850 HD2 HIS 106 HD2 HIS 106 22.280 22.995 2.804 851 HE1 HIS 106 HE1 HIS 106 25.038 25.168 5.149 852 H HIS 107 HN HIS 107 21.404 26.381 5.597 853 HA HIS 107 HA HIS 107 21.030 26.125 8.519 854 HB2 HIS 107 HB2 HIS 107 22.775 24.454 7.993 855 HB3 HIS 107 HB1 HIS 107 23.719 25.701 7.179 856 HD1 HIS 107 HD1 HIS 107 22.252 25.005 10.627 857 HD2 HIS 107 HD2 HIS 107 25.406 27.092 8.875 858 HE1 HIS 107 HE1 HIS 107 23.654 25.915 12.530 859 H HIS 108 HN HIS 108 21.717 27.912 5.734 860 HA HIS 108 HA HIS 108 22.045 30.370 7.337 861 HB2 HIS 108 HB2 HIS 108 24.373 29.513 6.936 862 HB3 HIS 108 HB1 HIS 108 24.071 29.626 5.201 863 HD1 HIS 108 HD1 HIS 108 23.715 32.039 4.206 864 HD2 HIS 108 HD2 HIS 108 24.855 31.977 8.215 865 HE1 HIS 108 HE1 HIS 108 24.410 34.403 4.789 866 H HIS 109 HN HIS 109 21.956 28.927 4.084 867 HA HIS 109 HA HIS 109 20.820 31.382 2.921 868 HB2 HIS 109 HB2 HIS 109 22.377 30.026 1.593 869 HB3 HIS 109 HB1 HIS 109 21.316 28.626 1.750 870 HD1 HIS 109 HD1 HIS 109 21.276 32.148 0.306 871 HD2 HIS 109 HD2 HIS 109 19.326 28.496 -0.182 872 HE1 HIS 109 HE1 HIS 109 19.764 32.408 -1.708 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -13.216 12.423 -15.923 2 H2 MET 1 HT2 MET 1 -13.285 14.087 -16.260 3 H3 MET 1 HT3 MET 1 -12.296 13.512 -15.005 4 HA MET 1 HA MET 1 -11.782 12.413 -17.648 5 HB2 MET 1 HB2 MET 1 -12.175 14.821 -18.114 6 HB3 MET 1 HB1 MET 1 -11.009 15.239 -16.859 7 HG2 MET 1 HG2 MET 1 -9.221 14.115 -18.085 8 HG3 MET 1 HG1 MET 1 -10.368 13.564 -19.307 9 HE1 MET 1 HE1 MET 1 -8.638 17.740 -18.635 10 HE2 MET 1 HE2 MET 1 -7.850 16.195 -18.331 11 HE3 MET 1 HE3 MET 1 -9.227 16.682 -17.346 12 H GLU 2 HN GLU 2 -10.343 14.354 -14.990 13 HA GLU 2 HA GLU 2 -7.936 12.664 -15.075 14 HB2 GLU 2 HB2 GLU 2 -8.782 15.130 -13.564 15 HB3 GLU 2 HB1 GLU 2 -7.371 14.219 -13.029 16 HG2 GLU 2 HG2 GLU 2 -6.318 14.478 -15.205 17 HG3 GLU 2 HG1 GLU 2 -7.764 15.255 -15.850 18 HA PRO 3 HA PRO 3 -9.215 9.863 -11.873 19 HB2 PRO 3 HB2 PRO 3 -6.813 9.282 -10.673 20 HB3 PRO 3 HB1 PRO 3 -7.276 8.666 -12.273 21 HG2 PRO 3 HG2 PRO 3 -5.529 10.990 -11.577 22 HG3 PRO 3 HG1 PRO 3 -5.301 9.743 -12.818 23 HD2 PRO 3 HD2 PRO 3 -6.243 12.225 -13.426 24 HD3 PRO 3 HD1 PRO 3 -6.759 10.777 -14.316 25 H GLN 4 HN GLN 4 -9.486 9.670 -9.548 26 HA GLN 4 HA GLN 4 -9.571 12.261 -8.207 27 HB2 GLN 4 HB2 GLN 4 -10.301 9.454 -7.334 28 HB3 GLN 4 HB1 GLN 4 -10.525 10.879 -6.317 29 HG2 GLN 4 HG2 GLN 4 -11.984 11.890 -7.995 30 HG3 GLN 4 HG1 GLN 4 -11.710 10.532 -9.086 31 HE21 GLN 4 HE21 GLN 4 -14.131 11.641 -7.312 32 HE22 GLN 4 HE22 GLN 4 -14.777 10.206 -6.672 33 H LEU 5 HN LEU 5 -7.791 13.075 -7.218 34 HA LEU 5 HA LEU 5 -5.639 11.256 -6.315 35 HB2 LEU 5 HB2 LEU 5 -5.904 14.246 -6.644 36 HB3 LEU 5 HB1 LEU 5 -4.518 13.532 -5.824 37 HG LEU 5 HG LEU 5 -5.318 12.521 -8.555 38 HD11 LEU 5 HD11 LEU 5 -3.795 14.180 -9.569 39 HD12 LEU 5 HD12 LEU 5 -3.583 14.949 -7.997 40 HD13 LEU 5 HD13 LEU 5 -5.162 14.969 -8.784 41 HD21 LEU 5 HD21 LEU 5 -3.581 11.294 -7.301 42 HD22 LEU 5 HD22 LEU 5 -2.672 12.783 -7.081 43 HD23 LEU 5 HD23 LEU 5 -2.866 12.100 -8.694 44 H THR 6 HN THR 6 -5.382 10.722 -4.231 45 HA THR 6 HA THR 6 -6.796 12.332 -2.124 46 HB THR 6 HB THR 6 -6.424 9.323 -2.179 47 HG1 THR 6 HG1 THR 6 -8.950 10.303 -2.144 48 HG21 THR 6 HG21 THR 6 -7.816 11.227 -0.284 49 HG22 THR 6 HG22 THR 6 -6.441 10.185 0.078 50 HG23 THR 6 HG23 THR 6 -8.025 9.476 -0.242 51 H LYS 7 HN LYS 7 -5.624 12.660 -0.216 52 HA LYS 7 HA LYS 7 -2.714 12.154 -0.435 53 HB2 LYS 7 HB2 LYS 7 -4.299 13.719 1.621 54 HB3 LYS 7 HB1 LYS 7 -2.550 13.754 1.406 55 HG2 LYS 7 HG2 LYS 7 -4.558 14.591 -0.708 56 HG3 LYS 7 HG1 LYS 7 -3.703 15.708 0.354 57 HD2 LYS 7 HD2 LYS 7 -1.542 14.571 -0.549 58 HD3 LYS 7 HD1 LYS 7 -2.580 13.965 -1.839 59 HE2 LYS 7 HE2 LYS 7 -1.626 16.030 -2.616 60 HE3 LYS 7 HE1 LYS 7 -3.321 16.347 -2.242 61 HZ1 LYS 7 HZ1 LYS 7 -2.787 17.511 -0.363 62 HZ2 LYS 7 HZ2 LYS 7 -1.468 17.915 -1.355 63 HZ3 LYS 7 HZ3 LYS 7 -1.298 16.729 -0.151 64 H ILE 8 HN ILE 8 -1.562 10.979 1.097 65 HA ILE 8 HA ILE 8 -2.826 8.768 2.333 66 HB ILE 8 HB ILE 8 -0.159 10.097 2.861 67 HG12 ILE 8 HG12 ILE 8 -0.763 7.468 1.487 68 HG13 ILE 8 HG11 ILE 8 -0.665 8.997 0.619 69 HG21 ILE 8 HG21 ILE 8 -1.334 7.549 3.987 70 HG22 ILE 8 HG22 ILE 8 -0.639 8.909 4.870 71 HG23 ILE 8 HG23 ILE 8 0.398 7.852 3.924 72 HD11 ILE 8 HD11 ILE 8 1.488 7.639 0.694 73 HD12 ILE 8 HD12 ILE 8 1.555 8.019 2.417 74 HD13 ILE 8 HD13 ILE 8 1.613 9.312 1.222 75 H VAL 9 HN VAL 9 -1.820 11.897 3.671 76 HA VAL 9 HA VAL 9 -2.530 11.321 6.387 77 HB VAL 9 HB VAL 9 -1.102 13.240 5.601 78 HG11 VAL 9 HG11 VAL 9 -3.716 14.628 4.993 79 HG12 VAL 9 HG12 VAL 9 -2.786 13.810 3.739 80 HG13 VAL 9 HG13 VAL 9 -2.079 15.166 4.619 81 HG21 VAL 9 HG21 VAL 9 -3.488 14.175 7.217 82 HG22 VAL 9 HG22 VAL 9 -1.817 14.728 7.338 83 HG23 VAL 9 HG23 VAL 9 -2.250 13.105 7.876 84 H ASP 10 HN ASP 10 -4.464 11.630 3.649 85 HA ASP 10 HA ASP 10 -6.847 12.567 5.196 86 HB2 ASP 10 HB2 ASP 10 -6.345 12.273 2.218 87 HB3 ASP 10 HB1 ASP 10 -7.907 12.714 2.910 88 H ILE 11 HN ILE 11 -5.365 9.747 4.797 89 HA ILE 11 HA ILE 11 -7.649 8.122 3.877 90 HB ILE 11 HB ILE 11 -4.881 7.411 4.885 91 HG12 ILE 11 HG12 ILE 11 -6.176 7.051 2.163 92 HG13 ILE 11 HG11 ILE 11 -5.131 8.405 2.589 93 HG21 ILE 11 HG21 ILE 11 -7.211 5.640 4.124 94 HG22 ILE 11 HG22 ILE 11 -6.242 5.592 5.596 95 HG23 ILE 11 HG23 ILE 11 -5.545 5.069 4.067 96 HD11 ILE 11 HD11 ILE 11 -4.400 5.473 2.490 97 HD12 ILE 11 HD12 ILE 11 -3.371 6.691 3.238 98 HD13 ILE 11 HD13 ILE 11 -3.733 6.779 1.513 99 H VAL 12 HN VAL 12 -9.207 7.402 5.248 100 HA VAL 12 HA VAL 12 -8.501 6.827 8.071 101 HB VAL 12 HB VAL 12 -10.570 8.037 8.841 102 HG11 VAL 12 HG11 VAL 12 -8.228 8.979 8.952 103 HG12 VAL 12 HG12 VAL 12 -9.498 10.201 8.888 104 HG13 VAL 12 HG13 VAL 12 -8.564 9.823 7.440 105 HG21 VAL 12 HG21 VAL 12 -10.481 9.042 5.980 106 HG22 VAL 12 HG22 VAL 12 -11.372 9.855 7.263 107 HG23 VAL 12 HG23 VAL 12 -11.817 8.218 6.783 108 H GLU 13 HN GLU 13 -9.662 5.683 5.313 109 HA GLU 13 HA GLU 13 -11.415 3.722 6.704 110 HB2 GLU 13 HB2 GLU 13 -12.878 5.494 5.665 111 HB3 GLU 13 HB1 GLU 13 -12.223 5.035 4.094 112 HG2 GLU 13 HG2 GLU 13 -14.284 3.823 4.375 113 HG3 GLU 13 HG1 GLU 13 -12.976 2.660 4.590 114 H ASN 14 HN ASN 14 -11.145 1.665 5.915 115 HA ASN 14 HA ASN 14 -9.077 1.312 3.796 116 HB2 ASN 14 HB2 ASN 14 -8.918 -1.001 4.620 117 HB3 ASN 14 HB1 ASN 14 -8.713 0.150 5.938 118 HD21 ASN 14 HD21 ASN 14 -9.419 -1.846 7.253 119 HD22 ASN 14 HD22 ASN 14 -11.085 -2.091 7.462 120 H GLY 15 HN GLY 15 -9.408 -0.359 2.141 121 HA2 GLY 15 HA2 GLY 15 -10.731 -1.629 0.641 122 HA3 GLY 15 HA1 GLY 15 -12.136 -1.320 1.661 123 H GLN 16 HN GLN 16 -10.441 1.524 1.019 124 HA GLN 16 HA GLN 16 -12.547 2.391 -0.887 125 HB2 GLN 16 HB2 GLN 16 -11.630 4.666 -0.454 126 HB3 GLN 16 HB1 GLN 16 -12.125 3.846 1.028 127 HG2 GLN 16 HG2 GLN 16 -9.780 3.156 1.418 128 HG3 GLN 16 HG1 GLN 16 -9.291 4.019 -0.040 129 HE21 GLN 16 HE21 GLN 16 -11.323 6.211 0.538 130 HE22 GLN 16 HE22 GLN 16 -10.624 7.130 1.782 131 H TRP 17 HN TRP 17 -11.973 3.500 -2.847 132 HA TRP 17 HA TRP 17 -9.375 2.579 -4.011 133 HB2 TRP 17 HB2 TRP 17 -12.027 3.267 -5.305 134 HB3 TRP 17 HB1 TRP 17 -10.551 2.934 -6.214 135 HD1 TRP 17 HD1 TRP 17 -13.323 1.257 -4.300 136 HE1 TRP 17 HE1 TRP 17 -13.018 -1.300 -4.400 137 HE3 TRP 17 HE3 TRP 17 -8.643 1.005 -6.328 138 HZ2 TRP 17 HZ2 TRP 17 -11.050 -3.203 -5.234 139 HZ3 TRP 17 HZ3 TRP 17 -7.578 -1.190 -6.763 140 HH2 TRP 17 HH2 TRP 17 -8.774 -3.293 -6.219 141 H ALA 18 HN ALA 18 -7.962 4.075 -4.758 142 HA ALA 18 HA ALA 18 -8.805 6.782 -5.464 143 HB1 ALA 18 HB1 ALA 18 -7.046 6.411 -3.023 144 HB2 ALA 18 HB2 ALA 18 -8.719 6.971 -3.003 145 HB3 ALA 18 HB3 ALA 18 -7.468 7.951 -3.769 146 H ASN 19 HN ASN 19 -6.555 8.159 -5.648 147 HA ASN 19 HA ASN 19 -4.555 6.354 -6.992 148 HB2 ASN 19 HB2 ASN 19 -5.645 7.550 -8.754 149 HB3 ASN 19 HB1 ASN 19 -5.653 9.049 -7.827 150 HD21 ASN 19 HD21 ASN 19 -4.324 10.376 -9.084 151 HD22 ASN 19 HD22 ASN 19 -2.721 10.001 -9.505 152 H LEU 20 HN LEU 20 -2.371 6.831 -6.538 153 HA LEU 20 HA LEU 20 -1.823 9.225 -4.843 154 HB2 LEU 20 HB2 LEU 20 -2.162 6.861 -3.611 155 HB3 LEU 20 HB1 LEU 20 -0.489 6.637 -4.102 156 HG LEU 20 HG LEU 20 -0.516 7.625 -1.887 157 HD11 LEU 20 HD11 LEU 20 0.981 9.409 -2.260 158 HD12 LEU 20 HD12 LEU 20 0.135 9.937 -3.709 159 HD13 LEU 20 HD13 LEU 20 1.105 8.462 -3.741 160 HD21 LEU 20 HD21 LEU 20 -2.884 8.848 -2.675 161 HD22 LEU 20 HD22 LEU 20 -1.763 10.204 -2.664 162 HD23 LEU 20 HD23 LEU 20 -1.995 9.240 -1.212 163 H LYS 21 HN LYS 21 -0.080 10.274 -5.553 164 HA LYS 21 HA LYS 21 1.870 8.862 -7.345 165 HB2 LYS 21 HB2 LYS 21 0.538 10.763 -8.339 166 HB3 LYS 21 HB1 LYS 21 1.306 11.836 -7.170 167 HG2 LYS 21 HG2 LYS 21 3.542 11.035 -8.042 168 HG3 LYS 21 HG1 LYS 21 2.668 10.202 -9.325 169 HD2 LYS 21 HD2 LYS 21 2.417 13.168 -8.765 170 HD3 LYS 21 HD1 LYS 21 3.508 12.488 -9.970 171 HE2 LYS 21 HE2 LYS 21 1.423 11.324 -10.947 172 HE3 LYS 21 HE1 LYS 21 0.489 12.428 -9.939 173 HZ1 LYS 21 HZ1 LYS 21 1.138 13.092 -12.349 174 HZ2 LYS 21 HZ2 LYS 21 2.620 13.515 -11.633 175 HZ3 LYS 21 HZ3 LYS 21 1.180 14.245 -11.106 176 H ALA 22 HN ALA 22 3.916 8.796 -6.659 177 HA ALA 22 HA ALA 22 5.138 10.758 -4.934 178 HB1 ALA 22 HB1 ALA 22 3.602 9.555 -3.306 179 HB2 ALA 22 HB2 ALA 22 5.305 9.575 -2.861 180 HB3 ALA 22 HB3 ALA 22 4.597 8.120 -3.557 181 H LYS 23 HN LYS 23 7.102 9.548 -3.761 182 HA LYS 23 HA LYS 23 8.519 8.027 -5.945 183 HB2 LYS 23 HB2 LYS 23 10.578 9.017 -5.284 184 HB3 LYS 23 HB1 LYS 23 9.408 10.333 -5.366 185 HG2 LYS 23 HG2 LYS 23 9.048 10.060 -2.892 186 HG3 LYS 23 HG1 LYS 23 10.375 8.910 -2.876 187 HD2 LYS 23 HD2 LYS 23 10.590 11.768 -3.840 188 HD3 LYS 23 HD1 LYS 23 11.097 11.202 -2.250 189 HE2 LYS 23 HE2 LYS 23 12.535 9.474 -3.564 190 HE3 LYS 23 HE1 LYS 23 12.280 10.545 -4.943 191 HZ1 LYS 23 HZ1 LYS 23 14.129 10.835 -2.910 192 HZ2 LYS 23 HZ2 LYS 23 12.971 12.054 -2.667 193 HZ3 LYS 23 HZ3 LYS 23 13.782 11.932 -4.156 194 H VAL 24 HN VAL 24 9.989 6.351 -5.335 195 HA VAL 24 HA VAL 24 9.038 4.940 -2.901 196 HB VAL 24 HB VAL 24 10.893 4.037 -5.116 197 HG11 VAL 24 HG11 VAL 24 10.118 1.760 -4.148 198 HG12 VAL 24 HG12 VAL 24 9.701 2.670 -2.702 199 HG13 VAL 24 HG13 VAL 24 11.369 2.639 -3.276 200 HG21 VAL 24 HG21 VAL 24 7.992 3.327 -4.610 201 HG22 VAL 24 HG22 VAL 24 8.966 2.914 -6.017 202 HG23 VAL 24 HG23 VAL 24 8.498 4.588 -5.735 203 H ILE 25 HN ILE 25 10.096 5.359 -1.045 204 HA ILE 25 HA ILE 25 12.783 6.440 -0.950 205 HB ILE 25 HB ILE 25 11.156 5.169 1.263 206 HG12 ILE 25 HG12 ILE 25 9.938 7.012 0.234 207 HG13 ILE 25 HG11 ILE 25 10.533 7.506 1.815 208 HG21 ILE 25 HG21 ILE 25 12.596 6.728 2.676 209 HG22 ILE 25 HG22 ILE 25 13.625 6.907 1.254 210 HG23 ILE 25 HG23 ILE 25 13.412 5.321 1.995 211 HD11 ILE 25 HD11 ILE 25 12.606 8.393 0.404 212 HD12 ILE 25 HD12 ILE 25 11.141 9.352 0.534 213 HD13 ILE 25 HD13 ILE 25 11.434 8.381 -0.905 214 H GLN 26 HN GLN 26 11.466 3.183 -0.877 215 HA GLN 26 HA GLN 26 14.038 2.029 -1.321 216 HB2 GLN 26 HB2 GLN 26 13.349 2.500 1.445 217 HB3 GLN 26 HB1 GLN 26 13.388 0.763 1.174 218 HG2 GLN 26 HG2 GLN 26 15.616 2.627 0.318 219 HG3 GLN 26 HG1 GLN 26 15.590 1.775 1.858 220 HE21 GLN 26 HE21 GLN 26 14.430 -0.705 0.933 221 HE22 GLN 26 HE22 GLN 26 15.563 -1.462 -0.082 222 H LEU 27 HN LEU 27 13.877 -0.408 -1.242 223 HA LEU 27 HA LEU 27 11.087 -1.427 -1.526 224 HB2 LEU 27 HB2 LEU 27 13.320 -1.671 -3.547 225 HB3 LEU 27 HB1 LEU 27 11.886 -2.699 -3.574 226 HG LEU 27 HG LEU 27 11.808 0.323 -3.600 227 HD11 LEU 27 HD11 LEU 27 12.895 -0.735 -5.634 228 HD12 LEU 27 HD12 LEU 27 11.471 0.248 -5.965 229 HD13 LEU 27 HD13 LEU 27 11.345 -1.512 -5.962 230 HD21 LEU 27 HD21 LEU 27 9.433 -0.403 -4.639 231 HD22 LEU 27 HD22 LEU 27 9.674 -0.265 -2.902 232 HD23 LEU 27 HD23 LEU 27 9.731 -1.847 -3.675 233 H TRP 28 HN TRP 28 10.986 -3.792 -1.466 234 HA TRP 28 HA TRP 28 13.380 -5.094 -0.239 235 HB2 TRP 28 HB2 TRP 28 11.622 -4.317 1.475 236 HB3 TRP 28 HB1 TRP 28 10.571 -5.551 0.781 237 HD1 TRP 28 HD1 TRP 28 14.103 -5.258 2.303 238 HE1 TRP 28 HE1 TRP 28 14.648 -7.470 3.507 239 HE3 TRP 28 HE3 TRP 28 9.913 -7.938 1.154 240 HZ2 TRP 28 HZ2 TRP 28 13.462 -10.037 3.928 241 HZ3 TRP 28 HZ3 TRP 28 9.646 -10.263 1.969 242 HH2 TRP 28 HH2 TRP 28 11.414 -11.315 3.354 243 H GLU 29 HN GLU 29 13.842 -6.511 -1.832 244 HA GLU 29 HA GLU 29 11.816 -7.797 -3.472 245 HB2 GLU 29 HB2 GLU 29 14.131 -7.376 -4.278 246 HB3 GLU 29 HB1 GLU 29 14.738 -8.526 -3.091 247 HG2 GLU 29 HG2 GLU 29 14.563 -9.682 -5.202 248 HG3 GLU 29 HG1 GLU 29 13.269 -10.286 -4.172 249 H ASN 30 HN ASN 30 10.546 -9.467 -2.790 250 HA ASN 30 HA ASN 30 11.469 -11.080 -0.452 251 HB2 ASN 30 HB2 ASN 30 9.238 -11.502 -0.019 252 HB3 ASN 30 HB1 ASN 30 9.051 -9.995 -0.911 253 HD21 ASN 30 HD21 ASN 30 7.868 -13.103 -0.751 254 HD22 ASN 30 HD22 ASN 30 7.316 -13.279 -2.346 255 H THR 31 HN THR 31 10.661 -13.522 -0.719 256 HA THR 31 HA THR 31 11.363 -14.517 -3.456 257 HB THR 31 HB THR 31 12.615 -16.364 -2.405 258 HG1 THR 31 HG1 THR 31 11.869 -14.968 -0.067 259 HG21 THR 31 HG21 THR 31 14.550 -15.029 -1.674 260 HG22 THR 31 HG22 THR 31 13.509 -13.618 -1.485 261 HG23 THR 31 HG23 THR 31 13.786 -14.302 -3.087 262 H HIS 32 HN HIS 32 9.045 -14.296 -1.134 263 HA HIS 32 HA HIS 32 7.988 -17.057 -1.452 264 HB2 HIS 32 HB2 HIS 32 6.885 -14.723 0.144 265 HB3 HIS 32 HB1 HIS 32 6.337 -16.398 0.224 266 HD1 HIS 32 HD1 HIS 32 8.255 -18.183 1.012 267 HD2 HIS 32 HD2 HIS 32 9.023 -14.168 1.835 268 HE1 HIS 32 HE1 HIS 32 10.088 -18.147 2.762 269 H GLU 33 HN GLU 33 5.535 -17.156 -1.882 270 HA GLU 33 HA GLU 33 4.998 -15.648 -4.368 271 HB2 GLU 33 HB2 GLU 33 4.558 -18.091 -4.232 272 HB3 GLU 33 HB1 GLU 33 3.347 -17.777 -2.990 273 HG2 GLU 33 HG2 GLU 33 2.050 -16.405 -4.565 274 HG3 GLU 33 HG1 GLU 33 3.274 -16.658 -5.808 275 H SER 34 HN SER 34 3.544 -16.053 -1.150 276 HA SER 34 HA SER 34 1.354 -14.215 -1.699 277 HB2 SER 34 HB2 SER 34 2.483 -15.008 0.995 278 HB3 SER 34 HB1 SER 34 0.876 -14.374 0.670 279 HG SER 34 HG SER 34 1.991 -16.852 -0.116 280 H ILE 35 HN ILE 35 3.169 -12.657 -2.606 281 HA ILE 35 HA ILE 35 3.322 -10.229 -1.619 282 HB ILE 35 HB ILE 35 4.986 -11.922 0.212 283 HG12 ILE 35 HG12 ILE 35 3.760 -9.244 0.827 284 HG13 ILE 35 HG11 ILE 35 2.704 -10.616 0.653 285 HG21 ILE 35 HG21 ILE 35 6.794 -10.625 -0.558 286 HG22 ILE 35 HG22 ILE 35 6.264 -9.808 0.899 287 HG23 ILE 35 HG23 ILE 35 5.823 -9.163 -0.681 288 HD11 ILE 35 HD11 ILE 35 3.261 -10.450 2.987 289 HD12 ILE 35 HD12 ILE 35 4.982 -10.315 2.621 290 HD13 ILE 35 HD13 ILE 35 4.138 -11.837 2.347 291 H SER 36 HN SER 36 4.265 -9.206 -3.299 292 HA SER 36 HA SER 36 6.484 -10.539 -4.743 293 HB2 SER 36 HB2 SER 36 4.410 -9.453 -5.833 294 HB3 SER 36 HB1 SER 36 5.175 -7.914 -5.473 295 HG SER 36 HG SER 36 6.134 -10.046 -7.076 296 H GLN 37 HN GLN 37 5.792 -7.204 -3.542 297 HA GLN 37 HA GLN 37 8.624 -6.972 -2.664 298 HB2 GLN 37 HB2 GLN 37 7.300 -5.524 -4.911 299 HB3 GLN 37 HB1 GLN 37 8.289 -4.530 -3.849 300 HG2 GLN 37 HG2 GLN 37 9.368 -7.125 -4.940 301 HG3 GLN 37 HG1 GLN 37 9.402 -5.664 -5.925 302 HE21 GLN 37 HE21 GLN 37 11.883 -6.168 -5.554 303 HE22 GLN 37 HE22 GLN 37 12.588 -5.420 -4.204 304 H VAL 38 HN VAL 38 8.911 -5.425 -1.045 305 HA VAL 38 HA VAL 38 6.486 -3.997 -0.038 306 HB VAL 38 HB VAL 38 8.514 -5.247 1.828 307 HG11 VAL 38 HG11 VAL 38 6.671 -5.056 3.421 308 HG12 VAL 38 HG12 VAL 38 5.592 -4.508 2.138 309 HG13 VAL 38 HG13 VAL 38 6.946 -3.498 2.642 310 HG21 VAL 38 HG21 VAL 38 6.747 -7.095 2.079 311 HG22 VAL 38 HG22 VAL 38 7.742 -7.156 0.623 312 HG23 VAL 38 HG23 VAL 38 6.095 -6.530 0.540 313 H GLY 39 HN GLY 39 6.954 -1.855 0.252 314 HA2 GLY 39 HA2 GLY 39 9.674 -1.043 1.057 315 HA3 GLY 39 HA1 GLY 39 9.172 -0.499 -0.544 316 H LEU 40 HN LEU 40 9.376 1.671 0.349 317 HA LEU 40 HA LEU 40 6.917 2.504 1.860 318 HB2 LEU 40 HB2 LEU 40 9.705 3.624 2.212 319 HB3 LEU 40 HB1 LEU 40 8.255 4.174 3.044 320 HG LEU 40 HG LEU 40 8.140 1.531 3.675 321 HD11 LEU 40 HD11 LEU 40 10.367 1.242 2.409 322 HD12 LEU 40 HD12 LEU 40 10.265 0.554 4.028 323 HD13 LEU 40 HD13 LEU 40 11.108 2.081 3.771 324 HD21 LEU 40 HD21 LEU 40 9.266 2.143 5.831 325 HD22 LEU 40 HD22 LEU 40 8.047 3.311 5.327 326 HD23 LEU 40 HD23 LEU 40 9.759 3.669 5.098 327 H LEU 41 HN LEU 41 6.072 4.536 1.272 328 HA LEU 41 HA LEU 41 7.106 5.599 -1.328 329 HB2 LEU 41 HB2 LEU 41 4.364 5.473 -0.072 330 HB3 LEU 41 HB1 LEU 41 4.708 6.617 -1.368 331 HG LEU 41 HG LEU 41 5.476 3.726 -1.741 332 HD11 LEU 41 HD11 LEU 41 2.688 4.847 -2.166 333 HD12 LEU 41 HD12 LEU 41 3.139 3.633 -0.970 334 HD13 LEU 41 HD13 LEU 41 3.243 3.257 -2.689 335 HD21 LEU 41 HD21 LEU 41 4.361 5.782 -3.677 336 HD22 LEU 41 HD22 LEU 41 5.133 4.249 -4.081 337 HD23 LEU 41 HD23 LEU 41 6.083 5.558 -3.386 338 H GLY 42 HN GLY 42 7.984 7.546 -1.290 339 HA2 GLY 42 HA2 GLY 42 7.838 9.181 1.169 340 HA3 GLY 42 HA1 GLY 42 8.958 9.407 -0.167 341 H ASP 43 HN ASP 43 5.874 10.310 1.113 342 HA ASP 43 HA ASP 43 5.227 11.851 -1.365 343 HB2 ASP 43 HB2 ASP 43 3.002 12.156 -0.247 344 HB3 ASP 43 HB1 ASP 43 3.399 10.469 -0.578 345 H GLU 44 HN GLU 44 4.466 14.082 -1.016 346 HA GLU 44 HA GLU 44 6.279 15.598 0.628 347 HB2 GLU 44 HB2 GLU 44 5.284 16.405 -1.514 348 HB3 GLU 44 HB1 GLU 44 3.715 16.492 -0.716 349 HG2 GLU 44 HG2 GLU 44 4.578 18.129 0.882 350 HG3 GLU 44 HG1 GLU 44 6.189 18.003 0.173 351 H THR 45 HN THR 45 3.237 14.113 1.259 352 HA THR 45 HA THR 45 2.664 15.903 3.562 353 HB THR 45 HB THR 45 0.550 14.756 3.709 354 HG1 THR 45 HG1 THR 45 0.171 12.872 2.678 355 HG21 THR 45 HG21 THR 45 1.103 14.926 0.747 356 HG22 THR 45 HG22 THR 45 1.018 16.369 1.756 357 HG23 THR 45 HG23 THR 45 -0.387 15.315 1.606 358 H GLY 46 HN GLY 46 4.538 13.209 2.946 359 HA2 GLY 46 HA2 GLY 46 5.617 12.663 5.317 360 HA3 GLY 46 HA1 GLY 46 4.034 11.931 5.581 361 H ILE 47 HN ILE 47 4.705 9.802 5.656 362 HA ILE 47 HA ILE 47 5.508 8.611 3.064 363 HB ILE 47 HB ILE 47 7.355 7.391 3.968 364 HG12 ILE 47 HG12 ILE 47 6.518 6.810 6.183 365 HG13 ILE 47 HG11 ILE 47 8.049 7.649 6.368 366 HG21 ILE 47 HG21 ILE 47 8.888 9.162 4.598 367 HG22 ILE 47 HG22 ILE 47 7.549 10.197 5.090 368 HG23 ILE 47 HG23 ILE 47 7.768 9.791 3.392 369 HD11 ILE 47 HD11 ILE 47 6.685 8.662 7.989 370 HD12 ILE 47 HD12 ILE 47 5.273 8.670 6.937 371 HD13 ILE 47 HD13 ILE 47 6.603 9.791 6.640 372 H ILE 48 HN ILE 48 5.318 6.162 3.165 373 HA ILE 48 HA ILE 48 3.793 5.034 5.373 374 HB ILE 48 HB ILE 48 2.028 6.295 4.200 375 HG12 ILE 48 HG12 ILE 48 1.667 3.333 3.711 376 HG13 ILE 48 HG11 ILE 48 1.651 4.034 5.331 377 HG21 ILE 48 HG21 ILE 48 1.370 5.681 1.942 378 HG22 ILE 48 HG22 ILE 48 2.630 4.454 1.873 379 HG23 ILE 48 HG23 ILE 48 3.067 6.161 1.937 380 HD11 ILE 48 HD11 ILE 48 -0.180 5.565 4.614 381 HD12 ILE 48 HD12 ILE 48 -0.639 3.866 4.493 382 HD13 ILE 48 HD13 ILE 48 -0.198 4.764 3.042 383 H LYS 49 HN LYS 49 3.273 2.719 4.955 384 HA LYS 49 HA LYS 49 5.364 1.506 3.218 385 HB2 LYS 49 HB2 LYS 49 3.604 0.372 5.404 386 HB3 LYS 49 HB1 LYS 49 4.774 -0.570 4.480 387 HG2 LYS 49 HG2 LYS 49 6.594 0.849 5.259 388 HG3 LYS 49 HG1 LYS 49 5.457 1.902 6.092 389 HD2 LYS 49 HD2 LYS 49 6.312 0.478 7.786 390 HD3 LYS 49 HD1 LYS 49 4.725 -0.182 7.397 391 HE2 LYS 49 HE2 LYS 49 5.682 -1.948 6.084 392 HE3 LYS 49 HE1 LYS 49 7.275 -1.193 6.104 393 HZ1 LYS 49 HZ1 LYS 49 7.710 -2.321 7.936 394 HZ2 LYS 49 HZ2 LYS 49 6.140 -2.969 7.966 395 HZ3 LYS 49 HZ3 LYS 49 6.469 -1.494 8.743 396 H PHE 50 HN PHE 50 4.781 -0.151 1.594 397 HA PHE 50 HA PHE 50 1.896 -0.613 1.169 398 HB2 PHE 50 HB2 PHE 50 2.019 0.033 -1.167 399 HB3 PHE 50 HB1 PHE 50 2.574 1.399 -0.201 400 HD1 PHE 50 HD1 PHE 50 4.985 1.975 -0.093 401 HD2 PHE 50 HD2 PHE 50 3.541 -1.226 -2.563 402 HE1 PHE 50 HE1 PHE 50 7.127 1.971 -1.346 403 HE2 PHE 50 HE2 PHE 50 5.688 -1.231 -3.809 404 HZ PHE 50 HZ PHE 50 7.468 0.372 -3.208 405 H THR 51 HN THR 51 1.601 -2.488 -0.247 406 HA THR 51 HA THR 51 4.038 -4.207 -0.580 407 HB THR 51 HB THR 51 1.314 -5.067 0.435 408 HG1 THR 51 HG1 THR 51 3.446 -4.057 1.651 409 HG21 THR 51 HG21 THR 51 2.583 -7.232 0.823 410 HG22 THR 51 HG22 THR 51 3.863 -6.567 -0.192 411 HG23 THR 51 HG23 THR 51 2.254 -6.841 -0.864 412 H ILE 52 HN ILE 52 4.162 -5.174 -2.555 413 HA ILE 52 HA ILE 52 1.883 -4.787 -4.457 414 HB ILE 52 HB ILE 52 4.713 -5.622 -5.122 415 HG12 ILE 52 HG12 ILE 52 4.814 -3.496 -3.879 416 HG13 ILE 52 HG11 ILE 52 5.174 -3.231 -5.581 417 HG21 ILE 52 HG21 ILE 52 4.093 -4.592 -7.317 418 HG22 ILE 52 HG22 ILE 52 2.462 -4.341 -6.693 419 HG23 ILE 52 HG23 ILE 52 3.087 -5.978 -6.891 420 HD11 ILE 52 HD11 ILE 52 2.570 -2.632 -4.145 421 HD12 ILE 52 HD12 ILE 52 2.744 -2.577 -5.898 422 HD13 ILE 52 HD13 ILE 52 3.668 -1.479 -4.891 423 H TRP 53 HN TRP 53 0.708 -6.548 -5.073 424 HA TRP 53 HA TRP 53 1.483 -9.175 -4.041 425 HB2 TRP 53 HB2 TRP 53 -0.887 -8.127 -5.597 426 HB3 TRP 53 HB1 TRP 53 -0.708 -9.830 -5.175 427 HD1 TRP 53 HD1 TRP 53 -2.167 -6.753 -3.884 428 HE1 TRP 53 HE1 TRP 53 -2.638 -6.924 -1.356 429 HE3 TRP 53 HE3 TRP 53 0.557 -10.918 -2.764 430 HZ2 TRP 53 HZ2 TRP 53 -1.947 -8.609 0.850 431 HZ3 TRP 53 HZ3 TRP 53 0.634 -11.787 -0.450 432 HH2 TRP 53 HH2 TRP 53 -0.612 -10.637 1.360 433 H LYS 54 HN LYS 54 2.274 -10.855 -5.220 434 HA LYS 54 HA LYS 54 3.553 -10.423 -7.741 435 HB2 LYS 54 HB2 LYS 54 4.178 -12.192 -6.075 436 HB3 LYS 54 HB1 LYS 54 2.705 -13.062 -6.506 437 HG2 LYS 54 HG2 LYS 54 3.470 -13.228 -8.838 438 HG3 LYS 54 HG1 LYS 54 4.936 -12.334 -8.428 439 HD2 LYS 54 HD2 LYS 54 5.563 -14.103 -6.820 440 HD3 LYS 54 HD1 LYS 54 4.109 -15.003 -7.249 441 HE2 LYS 54 HE2 LYS 54 4.889 -15.150 -9.588 442 HE3 LYS 54 HE1 LYS 54 6.350 -14.262 -9.153 443 HZ1 LYS 54 HZ1 LYS 54 5.755 -17.021 -8.810 444 HZ2 LYS 54 HZ2 LYS 54 6.171 -16.305 -7.327 445 HZ3 LYS 54 HZ3 LYS 54 7.237 -16.215 -8.646 446 H ASN 55 HN ASN 55 0.386 -11.692 -6.859 447 HA ASN 55 HA ASN 55 -0.349 -12.826 -9.351 448 HB2 ASN 55 HB2 ASN 55 -1.671 -13.091 -7.282 449 HB3 ASN 55 HB1 ASN 55 -2.099 -11.382 -7.337 450 HD21 ASN 55 HD21 ASN 55 -4.273 -11.332 -7.945 451 HD22 ASN 55 HD22 ASN 55 -4.925 -12.171 -9.268 452 H ALA 56 HN ALA 56 0.348 -9.590 -8.597 453 HA ALA 56 HA ALA 56 -1.437 -8.436 -10.643 454 HB1 ALA 56 HB1 ALA 56 0.834 -7.121 -9.123 455 HB2 ALA 56 HB2 ALA 56 -0.829 -7.199 -8.542 456 HB3 ALA 56 HB3 ALA 56 -0.452 -6.308 -10.017 457 H GLU 57 HN GLU 57 1.781 -9.692 -10.375 458 HA GLU 57 HA GLU 57 3.521 -9.894 -11.920 459 HB2 GLU 57 HB2 GLU 57 1.173 -9.582 -13.812 460 HB3 GLU 57 HB1 GLU 57 2.799 -10.032 -14.323 461 HG2 GLU 57 HG2 GLU 57 2.744 -12.005 -12.885 462 HG3 GLU 57 HG1 GLU 57 1.156 -11.542 -12.273 463 H LEU 58 HN LEU 58 3.650 -7.492 -10.842 464 HA LEU 58 HA LEU 58 3.765 -5.497 -13.067 465 HB2 LEU 58 HB2 LEU 58 3.899 -5.070 -10.072 466 HB3 LEU 58 HB1 LEU 58 3.862 -3.798 -11.288 467 HG LEU 58 HG LEU 58 1.693 -5.896 -11.065 468 HD11 LEU 58 HD11 LEU 58 1.885 -3.182 -9.738 469 HD12 LEU 58 HD12 LEU 58 1.733 -4.750 -8.944 470 HD13 LEU 58 HD13 LEU 58 0.388 -4.102 -9.882 471 HD21 LEU 58 HD21 LEU 58 0.387 -3.976 -12.181 472 HD22 LEU 58 HD22 LEU 58 1.581 -4.792 -13.183 473 HD23 LEU 58 HD23 LEU 58 1.952 -3.221 -12.472 474 HA PRO 59 HA PRO 59 8.205 -5.759 -13.030 475 HB2 PRO 59 HB2 PRO 59 8.863 -3.228 -13.906 476 HB3 PRO 59 HB1 PRO 59 8.247 -4.510 -14.967 477 HG2 PRO 59 HG2 PRO 59 6.796 -2.204 -13.752 478 HG3 PRO 59 HG1 PRO 59 6.641 -2.909 -15.371 479 HD2 PRO 59 HD2 PRO 59 4.851 -3.430 -13.367 480 HD3 PRO 59 HD1 PRO 59 5.226 -4.603 -14.650 481 H LEU 60 HN LEU 60 10.125 -4.914 -11.947 482 HA LEU 60 HA LEU 60 9.633 -4.104 -9.235 483 HB2 LEU 60 HB2 LEU 60 12.237 -4.011 -10.782 484 HB3 LEU 60 HB1 LEU 60 12.058 -4.067 -9.027 485 HG LEU 60 HG LEU 60 11.125 -6.222 -10.950 486 HD11 LEU 60 HD11 LEU 60 13.495 -6.104 -9.060 487 HD12 LEU 60 HD12 LEU 60 13.563 -6.135 -10.822 488 HD13 LEU 60 HD13 LEU 60 12.979 -7.544 -9.937 489 HD21 LEU 60 HD21 LEU 60 9.708 -6.403 -9.076 490 HD22 LEU 60 HD22 LEU 60 10.961 -5.869 -7.955 491 HD23 LEU 60 HD23 LEU 60 11.029 -7.486 -8.652 492 H LEU 61 HN LEU 61 9.714 -2.132 -8.292 493 HA LEU 61 HA LEU 61 9.579 0.235 -9.997 494 HB2 LEU 61 HB2 LEU 61 9.357 -0.266 -7.028 495 HB3 LEU 61 HB1 LEU 61 9.400 1.371 -7.680 496 HG LEU 61 HG LEU 61 7.458 0.893 -9.089 497 HD11 LEU 61 HD11 LEU 61 7.811 -1.878 -7.937 498 HD12 LEU 61 HD12 LEU 61 7.637 -1.401 -9.626 499 HD13 LEU 61 HD13 LEU 61 6.246 -1.340 -8.546 500 HD21 LEU 61 HD21 LEU 61 6.945 1.759 -6.904 501 HD22 LEU 61 HD22 LEU 61 7.178 0.179 -6.157 502 HD23 LEU 61 HD23 LEU 61 5.796 0.459 -7.215 503 H GLU 62 HN GLU 62 11.006 2.085 -9.775 504 HA GLU 62 HA GLU 62 13.800 1.287 -9.093 505 HB2 GLU 62 HB2 GLU 62 12.997 2.328 -11.384 506 HB3 GLU 62 HB1 GLU 62 13.079 3.851 -10.503 507 HG2 GLU 62 HG2 GLU 62 15.361 1.860 -10.729 508 HG3 GLU 62 HG1 GLU 62 15.206 3.334 -11.687 509 H GLN 63 HN GLN 63 14.610 1.977 -7.233 510 HA GLN 63 HA GLN 63 13.238 3.707 -5.420 511 HB2 GLN 63 HB2 GLN 63 16.123 2.800 -5.522 512 HB3 GLN 63 HB1 GLN 63 15.418 3.688 -4.168 513 HG2 GLN 63 HG2 GLN 63 13.774 1.948 -3.807 514 HG3 GLN 63 HG1 GLN 63 14.315 1.086 -5.247 515 HE21 GLN 63 HE21 GLN 63 14.375 0.383 -2.238 516 HE22 GLN 63 HE22 GLN 63 15.980 -0.099 -1.970 517 H GLY 64 HN GLY 64 13.395 5.898 -5.037 518 HA2 GLY 64 HA2 GLY 64 14.312 8.084 -5.182 519 HA3 GLY 64 HA1 GLY 64 15.537 7.481 -6.300 520 H GLU 65 HN GLU 65 12.943 6.154 -7.618 521 HA GLU 65 HA GLU 65 12.546 8.430 -9.479 522 HB2 GLU 65 HB2 GLU 65 13.144 6.199 -10.384 523 HB3 GLU 65 HB1 GLU 65 11.656 5.541 -9.705 524 HG2 GLU 65 HG2 GLU 65 10.301 6.965 -11.103 525 HG3 GLU 65 HG1 GLU 65 11.717 7.858 -11.656 526 H SER 66 HN SER 66 10.414 8.950 -10.218 527 HA SER 66 HA SER 66 8.392 8.887 -8.040 528 HB2 SER 66 HB2 SER 66 7.258 10.633 -9.431 529 HB3 SER 66 HB1 SER 66 8.888 11.089 -8.958 530 HG SER 66 HG SER 66 8.189 9.847 -11.416 531 H TYR 67 HN TYR 67 6.720 7.497 -8.168 532 HA TYR 67 HA TYR 67 5.997 6.325 -10.834 533 HB2 TYR 67 HB2 TYR 67 6.114 5.097 -8.076 534 HB3 TYR 67 HB1 TYR 67 5.111 4.392 -9.343 535 HD1 TYR 67 HD1 TYR 67 6.172 3.709 -11.518 536 HD2 TYR 67 HD2 TYR 67 8.479 4.786 -8.064 537 HE1 TYR 67 HE1 TYR 67 8.150 2.580 -12.492 538 HE2 TYR 67 HE2 TYR 67 10.455 3.654 -9.038 539 HH TYR 67 HH TYR 67 11.042 3.086 -11.849 540 H LEU 68 HN LEU 68 3.845 6.013 -11.243 541 HA LEU 68 HA LEU 68 1.932 7.570 -9.538 542 HB2 LEU 68 HB2 LEU 68 2.141 8.523 -11.765 543 HB3 LEU 68 HB1 LEU 68 1.909 6.951 -12.511 544 HG LEU 68 HG LEU 68 -0.371 6.847 -11.696 545 HD11 LEU 68 HD11 LEU 68 -1.268 9.020 -10.575 546 HD12 LEU 68 HD12 LEU 68 0.425 9.339 -10.198 547 HD13 LEU 68 HD13 LEU 68 -0.360 7.885 -9.580 548 HD21 LEU 68 HD21 LEU 68 0.409 9.444 -13.029 549 HD22 LEU 68 HD22 LEU 68 -1.273 8.966 -12.809 550 HD23 LEU 68 HD23 LEU 68 -0.196 7.972 -13.789 551 H LEU 69 HN LEU 69 0.368 6.357 -8.542 552 HA LEU 69 HA LEU 69 -0.053 3.545 -9.510 553 HB2 LEU 69 HB2 LEU 69 -0.548 4.651 -6.737 554 HB3 LEU 69 HB1 LEU 69 -0.528 2.960 -7.235 555 HG LEU 69 HG LEU 69 1.852 4.832 -7.320 556 HD11 LEU 69 HD11 LEU 69 1.049 2.607 -5.436 557 HD12 LEU 69 HD12 LEU 69 1.385 4.292 -5.038 558 HD13 LEU 69 HD13 LEU 69 2.697 3.227 -5.541 559 HD21 LEU 69 HD21 LEU 69 2.194 3.260 -9.050 560 HD22 LEU 69 HD22 LEU 69 1.410 1.962 -8.148 561 HD23 LEU 69 HD23 LEU 69 3.013 2.525 -7.674 562 H ARG 70 HN ARG 70 -1.943 3.416 -10.573 563 HA ARG 70 HA ARG 70 -4.237 5.150 -9.711 564 HB2 ARG 70 HB2 ARG 70 -3.603 3.820 -12.356 565 HB3 ARG 70 HB1 ARG 70 -5.152 4.589 -12.003 566 HG2 ARG 70 HG2 ARG 70 -4.014 6.713 -11.544 567 HG3 ARG 70 HG1 ARG 70 -2.458 5.950 -11.849 568 HD2 ARG 70 HD2 ARG 70 -3.121 5.472 -14.165 569 HD3 ARG 70 HD1 ARG 70 -4.700 6.195 -13.868 570 HE ARG 70 HE ARG 70 -2.833 8.171 -13.195 571 HH11 ARG 70 HH21 ARG 70 -3.694 6.245 -15.928 572 HH12 ARG 70 HH22 ARG 70 -3.221 7.444 -17.086 573 HH21 ARG 70 HH11 ARG 70 -2.216 9.745 -14.694 574 HH22 ARG 70 HH12 ARG 70 -2.386 9.423 -16.387 575 H SER 71 HN SER 71 -6.247 4.241 -9.380 576 HA SER 71 HA SER 71 -7.777 2.635 -8.690 577 HB2 SER 71 HB2 SER 71 -7.938 1.836 -10.889 578 HB3 SER 71 HB1 SER 71 -6.293 1.216 -10.892 579 HG SER 71 HG SER 71 -8.529 0.221 -9.454 580 H VAL 72 HN VAL 72 -6.043 2.881 -6.735 581 HA VAL 72 HA VAL 72 -5.054 0.127 -6.069 582 HB VAL 72 HB VAL 72 -3.700 1.315 -4.311 583 HG11 VAL 72 HG11 VAL 72 -3.138 2.416 -7.068 584 HG12 VAL 72 HG12 VAL 72 -2.899 0.714 -6.671 585 HG13 VAL 72 HG13 VAL 72 -1.986 1.951 -5.816 586 HG21 VAL 72 HG21 VAL 72 -5.267 3.379 -4.405 587 HG22 VAL 72 HG22 VAL 72 -4.344 3.849 -5.832 588 HG23 VAL 72 HG23 VAL 72 -3.535 3.678 -4.274 589 H VAL 73 HN VAL 73 -5.382 -0.542 -3.829 590 HA VAL 73 HA VAL 73 -7.859 0.636 -2.610 591 HB VAL 73 HB VAL 73 -8.260 -1.561 -3.708 592 HG11 VAL 73 HG11 VAL 73 -7.207 -3.566 -2.874 593 HG12 VAL 73 HG12 VAL 73 -6.375 -2.664 -1.607 594 HG13 VAL 73 HG13 VAL 73 -5.928 -2.428 -3.297 595 HG21 VAL 73 HG21 VAL 73 -9.356 -2.600 -1.777 596 HG22 VAL 73 HG22 VAL 73 -9.545 -0.848 -1.709 597 HG23 VAL 73 HG23 VAL 73 -8.359 -1.646 -0.677 598 H VAL 74 HN VAL 74 -7.896 0.808 -0.386 599 HA VAL 74 HA VAL 74 -5.242 0.680 0.941 600 HB VAL 74 HB VAL 74 -7.904 1.833 1.817 601 HG11 VAL 74 HG11 VAL 74 -6.741 1.224 3.811 602 HG12 VAL 74 HG12 VAL 74 -6.418 2.942 3.579 603 HG13 VAL 74 HG13 VAL 74 -5.191 1.748 3.151 604 HG21 VAL 74 HG21 VAL 74 -6.723 3.990 1.457 605 HG22 VAL 74 HG22 VAL 74 -6.829 3.046 -0.029 606 HG23 VAL 74 HG23 VAL 74 -5.314 3.102 0.874 607 H GLY 75 HN GLY 75 -4.730 -0.874 2.435 608 HA2 GLY 75 HA2 GLY 75 -6.935 -2.595 3.524 609 HA3 GLY 75 HA1 GLY 75 -5.434 -3.290 2.914 610 H GLU 76 HN GLU 76 -6.261 -3.702 5.570 611 HA GLU 76 HA GLU 76 -4.600 -1.872 7.228 612 HB2 GLU 76 HB2 GLU 76 -6.544 -4.097 7.906 613 HB3 GLU 76 HB1 GLU 76 -5.621 -3.200 9.115 614 HG2 GLU 76 HG2 GLU 76 -6.635 -1.103 8.383 615 HG3 GLU 76 HG1 GLU 76 -7.492 -1.939 7.088 616 H TYR 77 HN TYR 77 -2.650 -2.536 8.067 617 HA TYR 77 HA TYR 77 -1.912 -5.426 7.866 618 HB2 TYR 77 HB2 TYR 77 -0.967 -4.291 5.903 619 HB3 TYR 77 HB1 TYR 77 -0.217 -3.084 6.945 620 HD1 TYR 77 HD1 TYR 77 -0.303 -6.735 6.185 621 HD2 TYR 77 HD2 TYR 77 1.871 -3.494 7.984 622 HE1 TYR 77 HE1 TYR 77 1.658 -8.221 6.493 623 HE2 TYR 77 HE2 TYR 77 3.831 -4.980 8.290 624 HH TYR 77 HH TYR 77 4.752 -7.019 7.369 625 H ASN 78 HN ASN 78 -1.333 -6.082 9.853 626 HA ASN 78 HA ASN 78 -0.618 -6.027 12.073 627 HB2 ASN 78 HB2 ASN 78 1.535 -5.749 10.773 628 HB3 ASN 78 HB1 ASN 78 1.407 -4.014 11.072 629 HD21 ASN 78 HD21 ASN 78 1.630 -7.174 12.765 630 HD22 ASN 78 HD22 ASN 78 2.285 -6.538 14.196 631 H ASP 79 HN ASP 79 -2.817 -4.451 11.769 632 HA ASP 79 HA ASP 79 -4.013 -2.743 12.830 633 HB2 ASP 79 HB2 ASP 79 -2.762 -3.728 14.826 634 HB3 ASP 79 HB1 ASP 79 -1.594 -2.423 14.625 635 H ARG 80 HN ARG 80 -1.826 -2.144 10.716 636 HA ARG 80 HA ARG 80 -1.722 0.809 11.219 637 HB2 ARG 80 HB2 ARG 80 0.407 -0.948 9.959 638 HB3 ARG 80 HB1 ARG 80 0.474 0.811 10.039 639 HG2 ARG 80 HG2 ARG 80 0.111 -0.819 12.551 640 HG3 ARG 80 HG1 ARG 80 1.717 -0.576 11.871 641 HD2 ARG 80 HD2 ARG 80 1.444 1.852 12.010 642 HD3 ARG 80 HD1 ARG 80 -0.199 1.655 12.606 643 HE ARG 80 HE ARG 80 1.903 0.357 14.212 644 HH11 ARG 80 HH21 ARG 80 -0.166 3.070 13.652 645 HH12 ARG 80 HH22 ARG 80 -0.084 3.630 15.288 646 HH21 ARG 80 HH11 ARG 80 2.023 1.088 16.340 647 HH22 ARG 80 HH12 ARG 80 1.156 2.513 16.805 648 H PHE 81 HN PHE 81 -1.773 2.114 9.335 649 HA PHE 81 HA PHE 81 -3.537 1.079 7.277 650 HB2 PHE 81 HB2 PHE 81 -2.066 3.709 7.610 651 HB3 PHE 81 HB1 PHE 81 -3.178 3.383 6.282 652 HD1 PHE 81 HD2 PHE 81 -5.581 2.990 6.716 653 HD2 PHE 81 HD1 PHE 81 -2.869 4.063 9.869 654 HE1 PHE 81 HE2 PHE 81 -7.503 3.549 8.179 655 HE2 PHE 81 HE1 PHE 81 -4.791 4.623 11.333 656 HZ PHE 81 HZ PHE 81 -7.108 4.364 10.488 657 H GLN 82 HN GLN 82 -2.966 0.404 5.214 658 HA GLN 82 HA GLN 82 -0.204 0.879 4.235 659 HB2 GLN 82 HB2 GLN 82 -0.084 -1.238 5.525 660 HB3 GLN 82 HB1 GLN 82 -1.387 -1.904 4.542 661 HG2 GLN 82 HG2 GLN 82 0.016 -1.621 2.516 662 HG3 GLN 82 HG1 GLN 82 1.317 -0.987 3.521 663 HE21 GLN 82 HE21 GLN 82 2.839 -2.552 4.024 664 HE22 GLN 82 HE22 GLN 82 2.515 -4.207 4.210 665 H VAL 83 HN VAL 83 -0.044 0.586 1.932 666 HA VAL 83 HA VAL 83 -2.715 0.591 0.566 667 HB VAL 83 HB VAL 83 -0.103 1.350 -0.750 668 HG11 VAL 83 HG11 VAL 83 -2.873 2.521 -1.072 669 HG12 VAL 83 HG12 VAL 83 -2.328 1.112 -1.983 670 HG13 VAL 83 HG13 VAL 83 -1.501 2.658 -2.172 671 HG21 VAL 83 HG21 VAL 83 -0.110 2.618 1.322 672 HG22 VAL 83 HG22 VAL 83 -1.798 3.070 1.084 673 HG23 VAL 83 HG23 VAL 83 -0.555 3.700 0.001 674 H GLN 84 HN GLN 84 -3.259 -1.220 -0.532 675 HA GLN 84 HA GLN 84 -1.121 -3.206 -1.205 676 HB2 GLN 84 HB2 GLN 84 -4.129 -3.497 -0.941 677 HB3 GLN 84 HB1 GLN 84 -3.036 -4.799 -1.416 678 HG2 GLN 84 HG2 GLN 84 -1.822 -4.571 0.711 679 HG3 GLN 84 HG1 GLN 84 -2.892 -3.253 1.188 680 HE21 GLN 84 HE21 GLN 84 -4.976 -5.113 -0.452 681 HE22 GLN 84 HE22 GLN 84 -5.510 -6.159 0.773 682 H VAL 85 HN VAL 85 -0.582 -3.422 -3.305 683 HA VAL 85 HA VAL 85 -2.315 -2.170 -5.389 684 HB VAL 85 HB VAL 85 0.539 -3.168 -5.556 685 HG11 VAL 85 HG11 VAL 85 -1.141 -1.460 -7.410 686 HG12 VAL 85 HG12 VAL 85 -0.625 -3.118 -7.720 687 HG13 VAL 85 HG13 VAL 85 0.568 -1.823 -7.642 688 HG21 VAL 85 HG21 VAL 85 0.552 -1.315 -4.057 689 HG22 VAL 85 HG22 VAL 85 -0.654 -0.444 -5.004 690 HG23 VAL 85 HG23 VAL 85 0.985 -0.636 -5.626 691 H ASN 86 HN ASN 86 -3.374 -3.474 -6.848 692 HA ASN 86 HA ASN 86 -2.740 -6.405 -6.837 693 HB2 ASN 86 HB2 ASN 86 -5.373 -4.959 -7.256 694 HB3 ASN 86 HB1 ASN 86 -5.146 -6.695 -7.465 695 HD21 ASN 86 HD21 ASN 86 -6.460 -4.683 -5.296 696 HD22 ASN 86 HD22 ASN 86 -6.046 -5.457 -3.842 697 H LYS 87 HN LYS 87 -4.125 -7.211 -8.988 698 HA LYS 87 HA LYS 87 -2.487 -6.422 -11.204 699 HB2 LYS 87 HB2 LYS 87 -3.763 -8.640 -10.773 700 HB3 LYS 87 HB1 LYS 87 -5.154 -7.807 -11.458 701 HG2 LYS 87 HG2 LYS 87 -3.969 -7.418 -13.540 702 HG3 LYS 87 HG1 LYS 87 -2.476 -8.056 -12.854 703 HD2 LYS 87 HD2 LYS 87 -3.460 -9.806 -14.193 704 HD3 LYS 87 HD1 LYS 87 -3.657 -10.252 -12.500 705 HE2 LYS 87 HE2 LYS 87 -5.963 -9.695 -12.505 706 HE3 LYS 87 HE1 LYS 87 -5.822 -8.767 -13.999 707 HZ1 LYS 87 HZ1 LYS 87 -5.309 -10.833 -15.165 708 HZ2 LYS 87 HZ2 LYS 87 -6.829 -10.910 -14.410 709 HZ3 LYS 87 HZ3 LYS 87 -5.494 -11.705 -13.722 710 H ASN 88 HN ASN 88 -5.855 -5.661 -10.328 711 HA ASN 88 HA ASN 88 -6.507 -4.210 -12.684 712 HB2 ASN 88 HB2 ASN 88 -8.187 -3.044 -11.153 713 HB3 ASN 88 HB1 ASN 88 -8.290 -4.804 -11.211 714 HD21 ASN 88 HD21 ASN 88 -7.318 -6.012 -9.368 715 HD22 ASN 88 HD22 ASN 88 -7.123 -5.246 -7.869 716 H SER 89 HN SER 89 -4.206 -3.503 -10.350 717 HA SER 89 HA SER 89 -4.473 -0.576 -10.457 718 HB2 SER 89 HB2 SER 89 -2.715 -0.509 -8.914 719 HB3 SER 89 HB1 SER 89 -3.498 -2.039 -8.525 720 HG SER 89 HG SER 89 -1.235 -1.642 -10.197 721 H SER 90 HN SER 90 -2.593 0.764 -11.235 722 HA SER 90 HA SER 90 -1.065 -0.516 -13.470 723 HB2 SER 90 HB2 SER 90 -3.080 0.646 -14.385 724 HB3 SER 90 HB1 SER 90 -2.527 2.139 -13.632 725 HG SER 90 HG SER 90 -1.765 2.132 -15.712 726 H ILE 91 HN ILE 91 0.936 0.679 -13.985 727 HA ILE 91 HA ILE 91 1.724 2.715 -11.957 728 HB ILE 91 HB ILE 91 3.336 0.308 -12.838 729 HG12 ILE 91 HG12 ILE 91 2.433 1.146 -10.073 730 HG13 ILE 91 HG11 ILE 91 1.541 -0.000 -11.072 731 HG21 ILE 91 HG21 ILE 91 4.861 2.132 -12.660 732 HG22 ILE 91 HG22 ILE 91 4.974 1.280 -11.120 733 HG23 ILE 91 HG23 ILE 91 4.044 2.773 -11.234 734 HD11 ILE 91 HD11 ILE 91 3.468 -1.490 -11.154 735 HD12 ILE 91 HD12 ILE 91 3.089 -1.124 -9.472 736 HD13 ILE 91 HD13 ILE 91 4.444 -0.320 -10.265 737 H GLU 92 HN GLU 92 2.553 4.503 -12.979 738 HA GLU 92 HA GLU 92 3.738 4.140 -15.720 739 HB2 GLU 92 HB2 GLU 92 2.057 6.488 -14.786 740 HB3 GLU 92 HB1 GLU 92 2.718 6.240 -16.401 741 HG2 GLU 92 HG2 GLU 92 1.371 4.173 -16.620 742 HG3 GLU 92 HG1 GLU 92 0.685 4.474 -15.021 743 H LYS 93 HN LYS 93 5.731 5.030 -15.909 744 HA LYS 93 HA LYS 93 6.946 6.341 -13.595 745 HB2 LYS 93 HB2 LYS 93 7.961 5.672 -16.368 746 HB3 LYS 93 HB1 LYS 93 8.954 6.456 -15.136 747 HG2 LYS 93 HG2 LYS 93 8.630 4.573 -13.622 748 HG3 LYS 93 HG1 LYS 93 7.544 3.801 -14.775 749 HD2 LYS 93 HD2 LYS 93 9.384 3.656 -16.416 750 HD3 LYS 93 HD1 LYS 93 10.470 4.429 -15.263 751 HE2 LYS 93 HE2 LYS 93 10.159 2.568 -13.691 752 HE3 LYS 93 HE1 LYS 93 9.028 1.798 -14.804 753 HZ1 LYS 93 HZ1 LYS 93 10.789 1.627 -16.435 754 HZ2 LYS 93 HZ2 LYS 93 11.261 0.872 -14.988 755 HZ3 LYS 93 HZ3 LYS 93 11.876 2.404 -15.392 756 H LEU 94 HN LEU 94 7.326 8.517 -13.356 757 HA LEU 94 HA LEU 94 6.288 10.324 -15.512 758 HB2 LEU 94 HB2 LEU 94 6.472 10.517 -12.519 759 HB3 LEU 94 HB1 LEU 94 6.510 12.010 -13.457 760 HG LEU 94 HG LEU 94 4.386 11.457 -14.509 761 HD11 LEU 94 HD11 LEU 94 3.151 9.403 -13.616 762 HD12 LEU 94 HD12 LEU 94 4.712 8.853 -13.005 763 HD13 LEU 94 HD13 LEU 94 4.468 9.092 -14.735 764 HD21 LEU 94 HD21 LEU 94 2.974 11.766 -12.630 765 HD22 LEU 94 HD22 LEU 94 4.516 12.464 -12.142 766 HD23 LEU 94 HD23 LEU 94 4.049 10.864 -11.565 767 H SER 95 HN SER 95 9.147 9.094 -14.371 768 HA SER 95 HA SER 95 11.383 9.812 -14.533 769 HB2 SER 95 HB2 SER 95 10.401 9.904 -16.961 770 HB3 SER 95 HB1 SER 95 10.457 11.649 -16.740 771 HG SER 95 HG SER 95 12.387 10.630 -17.655 772 H GLU 96 HN GLU 96 9.085 11.742 -13.274 773 HA GLU 96 HA GLU 96 10.754 14.198 -13.208 774 HB2 GLU 96 HB2 GLU 96 8.298 14.316 -13.794 775 HB3 GLU 96 HB1 GLU 96 7.957 13.834 -12.128 776 HG2 GLU 96 HG2 GLU 96 9.284 15.770 -11.320 777 HG3 GLU 96 HG1 GLU 96 9.541 16.268 -12.992 778 HA PRO 97 HA PRO 97 11.878 12.718 -9.070 779 HB2 PRO 97 HB2 PRO 97 13.583 14.728 -8.372 780 HB3 PRO 97 HB1 PRO 97 14.027 13.462 -9.534 781 HG2 PRO 97 HG2 PRO 97 13.141 16.267 -10.039 782 HG3 PRO 97 HG1 PRO 97 14.392 15.313 -10.859 783 HD2 PRO 97 HD2 PRO 97 11.847 15.697 -11.873 784 HD3 PRO 97 HD1 PRO 97 12.872 14.298 -12.278 785 H ILE 98 HN ILE 98 11.047 13.087 -7.035 786 HA ILE 98 HA ILE 98 9.443 15.588 -6.621 787 HB ILE 98 HB ILE 98 9.158 12.832 -5.385 788 HG12 ILE 98 HG12 ILE 98 7.293 14.400 -7.188 789 HG13 ILE 98 HG11 ILE 98 8.424 13.185 -7.784 790 HG21 ILE 98 HG21 ILE 98 7.039 13.885 -4.442 791 HG22 ILE 98 HG22 ILE 98 7.702 15.447 -4.922 792 HG23 ILE 98 HG23 ILE 98 8.543 14.463 -3.725 793 HD11 ILE 98 HD11 ILE 98 6.303 12.662 -5.687 794 HD12 ILE 98 HD12 ILE 98 7.364 11.466 -6.434 795 HD13 ILE 98 HD13 ILE 98 6.129 12.276 -7.399 796 H GLU 99 HN GLU 99 9.949 16.887 -4.877 797 HA GLU 99 HA GLU 99 12.345 16.111 -3.288 798 HB2 GLU 99 HB2 GLU 99 12.248 18.322 -4.517 799 HB3 GLU 99 HB1 GLU 99 10.945 18.794 -3.426 800 HG2 GLU 99 HG2 GLU 99 12.457 18.362 -1.494 801 HG3 GLU 99 HG1 GLU 99 13.761 18.018 -2.630 802 H VAL 100 HN VAL 100 12.005 15.339 -1.283 803 HA VAL 100 HA VAL 100 9.387 15.824 0.062 804 HB VAL 100 HB VAL 100 11.610 13.974 0.962 805 HG11 VAL 100 HG11 VAL 100 8.609 13.768 1.313 806 HG12 VAL 100 HG12 VAL 100 9.656 14.563 2.486 807 HG13 VAL 100 HG13 VAL 100 9.855 12.844 2.151 808 HG21 VAL 100 HG21 VAL 100 10.285 12.198 -0.270 809 HG22 VAL 100 HG22 VAL 100 11.132 13.341 -1.315 810 HG23 VAL 100 HG23 VAL 100 9.396 13.505 -1.054 811 H GLY 101 HN GLY 101 10.963 18.073 -0.018 812 HA2 GLY 101 HA2 GLY 101 11.070 19.253 2.377 813 HA3 GLY 101 HA1 GLY 101 12.498 18.224 2.519 814 H LEU 102 HN LEU 102 14.051 19.850 2.466 815 HA LEU 102 HA LEU 102 14.083 21.706 0.125 816 HB2 LEU 102 HB2 LEU 102 15.788 21.713 2.631 817 HB3 LEU 102 HB1 LEU 102 15.689 22.996 1.424 818 HG LEU 102 HG LEU 102 13.379 22.020 3.133 819 HD11 LEU 102 HD11 LEU 102 15.156 24.467 3.324 820 HD12 LEU 102 HD12 LEU 102 14.909 23.217 4.543 821 HD13 LEU 102 HD13 LEU 102 13.602 24.334 4.149 822 HD21 LEU 102 HD21 LEU 102 13.641 24.066 0.932 823 HD22 LEU 102 HD22 LEU 102 12.444 24.300 2.205 824 HD23 LEU 102 HD23 LEU 102 12.374 22.865 1.187 825 H GLU 103 HN GLU 103 16.550 19.984 2.049 826 HA GLU 103 HA GLU 103 18.387 19.863 -0.176 827 HB2 GLU 103 HB2 GLU 103 19.713 18.404 1.343 828 HB3 GLU 103 HB1 GLU 103 19.194 19.898 2.127 829 HG2 GLU 103 HG2 GLU 103 17.262 18.687 3.112 830 HG3 GLU 103 HG1 GLU 103 17.848 17.192 2.381 831 H HIS 104 HN HIS 104 18.857 18.161 -1.535 832 HA HIS 104 HA HIS 104 17.453 15.569 -1.196 833 HB2 HIS 104 HB2 HIS 104 16.021 17.126 -2.631 834 HB3 HIS 104 HB1 HIS 104 17.325 17.088 -3.817 835 HD1 HIS 104 HD1 HIS 104 17.855 14.753 -4.931 836 HD2 HIS 104 HD2 HIS 104 14.450 14.788 -2.526 837 HE1 HIS 104 HE1 HIS 104 16.579 12.633 -5.466 838 H HIS 105 HN HIS 105 20.242 16.747 -1.151 839 HA HIS 105 HA HIS 105 22.383 16.206 -1.939 840 HB2 HIS 105 HB2 HIS 105 20.887 13.638 -2.538 841 HB3 HIS 105 HB1 HIS 105 22.639 13.803 -2.629 842 HD1 HIS 105 HD1 HIS 105 23.835 14.579 -0.319 843 HD2 HIS 105 HD2 HIS 105 19.933 13.151 0.030 844 HE1 HIS 105 HE1 HIS 105 23.495 14.011 2.126 845 H HIS 106 HN HIS 106 22.494 17.703 -3.685 846 HA HIS 106 HA HIS 106 21.331 17.110 -6.273 847 HB2 HIS 106 HB2 HIS 106 21.815 19.424 -5.573 848 HB3 HIS 106 HB1 HIS 106 23.540 19.054 -5.539 849 HD1 HIS 106 HD1 HIS 106 20.637 19.006 -8.012 850 HD2 HIS 106 HD2 HIS 106 24.787 19.395 -7.992 851 HE1 HIS 106 HE1 HIS 106 21.321 19.506 -10.399 852 H HIS 107 HN HIS 107 22.259 16.075 -8.012 853 HA HIS 107 HA HIS 107 25.136 15.303 -7.875 854 HB2 HIS 107 HB2 HIS 107 23.882 13.425 -6.891 855 HB3 HIS 107 HB1 HIS 107 22.836 13.371 -8.309 856 HD1 HIS 107 HD1 HIS 107 26.560 13.117 -7.513 857 HD2 HIS 107 HD2 HIS 107 23.791 11.700 -10.287 858 HE1 HIS 107 HE1 HIS 107 27.805 11.491 -9.001 859 H HIS 108 HN HIS 108 26.068 15.060 -9.932 860 HA HIS 108 HA HIS 108 24.301 15.210 -12.317 861 HB2 HIS 108 HB2 HIS 108 24.908 17.561 -11.631 862 HB3 HIS 108 HB1 HIS 108 26.600 17.143 -11.897 863 HD1 HIS 108 HD1 HIS 108 23.313 17.012 -13.839 864 HD2 HIS 108 HD2 HIS 108 27.394 17.536 -14.511 865 HE1 HIS 108 HE1 HIS 108 23.575 17.496 -16.311 866 H HIS 109 HN HIS 109 25.168 14.122 -14.056 867 HA HIS 109 HA HIS 109 28.040 13.443 -14.115 868 HB2 HIS 109 HB2 HIS 109 27.031 11.673 -12.694 869 HB3 HIS 109 HB1 HIS 109 25.895 11.298 -13.989 870 HD1 HIS 109 HD1 HIS 109 29.654 11.383 -13.375 871 HD2 HIS 109 HD2 HIS 109 26.884 9.511 -15.866 872 HE1 HIS 109 HE1 HIS 109 30.945 9.669 -14.721 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -8.566 10.486 -18.692 2 H2 MET 1 HT2 MET 1 -9.439 11.944 -18.723 3 H3 MET 1 HT3 MET 1 -9.470 10.961 -17.338 4 HA MET 1 HA MET 1 -6.964 11.301 -17.253 5 HB2 MET 1 HB2 MET 1 -7.859 13.507 -19.130 6 HB3 MET 1 HB1 MET 1 -6.317 13.519 -18.271 7 HG2 MET 1 HG2 MET 1 -5.744 11.338 -19.308 8 HG3 MET 1 HG1 MET 1 -7.255 11.385 -20.211 9 HE1 MET 1 HE1 MET 1 -7.588 14.425 -21.267 10 HE2 MET 1 HE2 MET 1 -7.904 12.822 -21.924 11 HE3 MET 1 HE3 MET 1 -6.928 13.964 -22.841 12 H GLU 2 HN GLU 2 -8.630 11.294 -15.338 13 HA GLU 2 HA GLU 2 -8.242 13.741 -13.869 14 HB2 GLU 2 HB2 GLU 2 -10.196 14.302 -15.444 15 HB3 GLU 2 HB1 GLU 2 -11.139 13.145 -14.504 16 HG2 GLU 2 HG2 GLU 2 -10.448 14.436 -12.427 17 HG3 GLU 2 HG1 GLU 2 -9.805 15.674 -13.507 18 HA PRO 3 HA PRO 3 -9.293 9.702 -11.653 19 HB2 PRO 3 HB2 PRO 3 -6.815 9.200 -10.600 20 HB3 PRO 3 HB1 PRO 3 -7.318 8.626 -12.202 21 HG2 PRO 3 HG2 PRO 3 -5.642 10.992 -11.481 22 HG3 PRO 3 HG1 PRO 3 -5.436 9.824 -12.801 23 HD2 PRO 3 HD2 PRO 3 -6.527 12.309 -13.183 24 HD3 PRO 3 HD1 PRO 3 -6.969 10.903 -14.177 25 H GLN 4 HN GLN 4 -9.520 9.476 -9.347 26 HA GLN 4 HA GLN 4 -9.575 12.028 -7.935 27 HB2 GLN 4 HB2 GLN 4 -11.232 10.011 -7.758 28 HB3 GLN 4 HB1 GLN 4 -10.049 9.342 -6.637 29 HG2 GLN 4 HG2 GLN 4 -11.337 12.078 -6.383 30 HG3 GLN 4 HG1 GLN 4 -11.802 10.648 -5.460 31 HE21 GLN 4 HE21 GLN 4 -10.084 13.408 -5.068 32 HE22 GLN 4 HE22 GLN 4 -8.882 12.872 -3.996 33 H LEU 5 HN LEU 5 -7.785 12.841 -6.958 34 HA LEU 5 HA LEU 5 -5.566 11.036 -6.192 35 HB2 LEU 5 HB2 LEU 5 -5.768 14.058 -6.046 36 HB3 LEU 5 HB1 LEU 5 -4.297 13.096 -5.899 37 HG LEU 5 HG LEU 5 -6.072 13.195 -8.359 38 HD11 LEU 5 HD11 LEU 5 -3.308 14.370 -7.956 39 HD12 LEU 5 HD12 LEU 5 -4.796 15.309 -7.839 40 HD13 LEU 5 HD13 LEU 5 -4.350 14.552 -9.367 41 HD21 LEU 5 HD21 LEU 5 -4.995 11.105 -8.430 42 HD22 LEU 5 HD22 LEU 5 -3.536 11.715 -7.649 43 HD23 LEU 5 HD23 LEU 5 -3.883 12.130 -9.327 44 H THR 6 HN THR 6 -5.208 10.454 -4.127 45 HA THR 6 HA THR 6 -6.617 11.937 -1.929 46 HB THR 6 HB THR 6 -6.132 8.950 -2.156 47 HG1 THR 6 HG1 THR 6 -8.604 9.305 -1.891 48 HG21 THR 6 HG21 THR 6 -7.617 8.988 -0.068 49 HG22 THR 6 HG22 THR 6 -7.262 10.712 0.022 50 HG23 THR 6 HG23 THR 6 -5.955 9.536 0.144 51 H LYS 7 HN LYS 7 -5.411 12.262 -0.045 52 HA LYS 7 HA LYS 7 -2.483 11.873 -0.353 53 HB2 LYS 7 HB2 LYS 7 -4.129 13.521 1.585 54 HB3 LYS 7 HB1 LYS 7 -2.368 13.468 1.566 55 HG2 LYS 7 HG2 LYS 7 -2.355 14.314 -0.744 56 HG3 LYS 7 HG1 LYS 7 -4.118 14.337 -0.754 57 HD2 LYS 7 HD2 LYS 7 -4.081 15.938 1.152 58 HD3 LYS 7 HD1 LYS 7 -2.320 15.965 1.066 59 HE2 LYS 7 HE2 LYS 7 -4.134 16.689 -1.250 60 HE3 LYS 7 HE1 LYS 7 -3.416 17.871 -0.155 61 HZ1 LYS 7 HZ1 LYS 7 -2.261 16.729 -2.402 62 HZ2 LYS 7 HZ2 LYS 7 -1.434 16.083 -1.066 63 HZ3 LYS 7 HZ3 LYS 7 -1.528 17.766 -1.279 64 H ILE 8 HN ILE 8 -1.245 10.894 1.291 65 HA ILE 8 HA ILE 8 -2.296 8.570 2.499 66 HB ILE 8 HB ILE 8 0.130 10.235 3.221 67 HG12 ILE 8 HG12 ILE 8 0.013 7.580 1.777 68 HG13 ILE 8 HG11 ILE 8 -0.083 9.117 0.918 69 HG21 ILE 8 HG21 ILE 8 -0.783 7.526 4.205 70 HG22 ILE 8 HG22 ILE 8 -0.333 8.936 5.165 71 HG23 ILE 8 HG23 ILE 8 0.902 8.042 4.282 72 HD11 ILE 8 HD11 ILE 8 2.242 8.369 0.963 73 HD12 ILE 8 HD12 ILE 8 2.183 8.210 2.717 74 HD13 ILE 8 HD13 ILE 8 2.071 9.801 1.976 75 H VAL 9 HN VAL 9 -1.713 11.774 3.897 76 HA VAL 9 HA VAL 9 -2.601 11.129 6.553 77 HB VAL 9 HB VAL 9 -1.271 13.160 5.931 78 HG11 VAL 9 HG11 VAL 9 -2.752 13.600 3.879 79 HG12 VAL 9 HG12 VAL 9 -2.288 15.008 4.834 80 HG13 VAL 9 HG13 VAL 9 -3.903 14.321 5.004 81 HG21 VAL 9 HG21 VAL 9 -2.291 14.580 7.564 82 HG22 VAL 9 HG22 VAL 9 -2.677 12.931 8.053 83 HG23 VAL 9 HG23 VAL 9 -3.893 13.917 7.241 84 H ASP 10 HN ASP 10 -4.303 11.499 3.612 85 HA ASP 10 HA ASP 10 -6.864 12.202 4.952 86 HB2 ASP 10 HB2 ASP 10 -6.104 11.841 2.038 87 HB3 ASP 10 HB1 ASP 10 -7.744 12.181 2.583 88 H ILE 11 HN ILE 11 -5.128 9.460 4.636 89 HA ILE 11 HA ILE 11 -7.305 7.682 3.730 90 HB ILE 11 HB ILE 11 -4.497 7.149 4.737 91 HG12 ILE 11 HG12 ILE 11 -5.737 6.801 1.986 92 HG13 ILE 11 HG11 ILE 11 -4.760 8.188 2.466 93 HG21 ILE 11 HG21 ILE 11 -4.978 4.795 3.878 94 HG22 ILE 11 HG22 ILE 11 -6.679 5.250 3.845 95 HG23 ILE 11 HG23 ILE 11 -5.796 5.238 5.371 96 HD11 ILE 11 HD11 ILE 11 -3.912 5.309 2.166 97 HD12 ILE 11 HD12 ILE 11 -2.962 6.443 3.122 98 HD13 ILE 11 HD13 ILE 11 -3.221 6.738 1.401 99 H VAL 12 HN VAL 12 -8.822 6.977 5.133 100 HA VAL 12 HA VAL 12 -8.038 6.305 7.907 101 HB VAL 12 HB VAL 12 -10.097 7.526 8.773 102 HG11 VAL 12 HG11 VAL 12 -7.742 8.328 9.044 103 HG12 VAL 12 HG12 VAL 12 -8.910 9.647 8.953 104 HG13 VAL 12 HG13 VAL 12 -7.921 9.246 7.549 105 HG21 VAL 12 HG21 VAL 12 -9.831 9.086 6.192 106 HG22 VAL 12 HG22 VAL 12 -11.062 9.268 7.440 107 HG23 VAL 12 HG23 VAL 12 -11.047 7.829 6.420 108 H GLU 13 HN GLU 13 -9.383 5.330 5.151 109 HA GLU 13 HA GLU 13 -11.217 3.426 6.549 110 HB2 GLU 13 HB2 GLU 13 -12.538 5.240 5.403 111 HB3 GLU 13 HB1 GLU 13 -11.829 4.719 3.875 112 HG2 GLU 13 HG2 GLU 13 -13.962 3.618 4.078 113 HG3 GLU 13 HG1 GLU 13 -12.724 2.396 4.366 114 H ASN 14 HN ASN 14 -10.917 1.339 5.903 115 HA ASN 14 HA ASN 14 -8.817 0.829 3.868 116 HB2 ASN 14 HB2 ASN 14 -8.793 -1.450 4.765 117 HB3 ASN 14 HB1 ASN 14 -8.653 -0.279 6.075 118 HD21 ASN 14 HD21 ASN 14 -9.519 -2.287 7.327 119 HD22 ASN 14 HD22 ASN 14 -11.205 -2.452 7.429 120 H GLY 15 HN GLY 15 -9.155 -0.810 2.204 121 HA2 GLY 15 HA2 GLY 15 -10.426 -1.969 0.599 122 HA3 GLY 15 HA1 GLY 15 -11.834 -1.795 1.648 123 H GLN 16 HN GLN 16 -10.081 1.083 0.934 124 HA GLN 16 HA GLN 16 -12.349 2.019 -0.764 125 HB2 GLN 16 HB2 GLN 16 -11.814 3.377 1.215 126 HB3 GLN 16 HB1 GLN 16 -10.158 3.577 0.639 127 HG2 GLN 16 HG2 GLN 16 -10.910 4.781 -1.315 128 HG3 GLN 16 HG1 GLN 16 -12.597 4.424 -0.945 129 HE21 GLN 16 HE21 GLN 16 -10.016 6.649 -0.369 130 HE22 GLN 16 HE22 GLN 16 -10.805 7.595 0.798 131 H TRP 17 HN TRP 17 -11.952 3.051 -2.753 132 HA TRP 17 HA TRP 17 -9.395 2.248 -4.072 133 HB2 TRP 17 HB2 TRP 17 -12.115 3.019 -5.168 134 HB3 TRP 17 HB1 TRP 17 -10.700 2.740 -6.183 135 HD1 TRP 17 HD1 TRP 17 -13.315 0.950 -4.126 136 HE1 TRP 17 HE1 TRP 17 -13.043 -1.597 -4.429 137 HE3 TRP 17 HE3 TRP 17 -8.876 0.831 -6.644 138 HZ2 TRP 17 HZ2 TRP 17 -11.186 -3.440 -5.590 139 HZ3 TRP 17 HZ3 TRP 17 -7.879 -1.329 -7.337 140 HH2 TRP 17 HH2 TRP 17 -9.027 -3.463 -6.814 141 H ALA 18 HN ALA 18 -7.976 3.777 -4.704 142 HA ALA 18 HA ALA 18 -8.806 6.506 -5.322 143 HB1 ALA 18 HB1 ALA 18 -7.529 7.631 -3.586 144 HB2 ALA 18 HB2 ALA 18 -6.997 6.084 -2.927 145 HB3 ALA 18 HB3 ALA 18 -8.696 6.549 -2.827 146 H ASN 19 HN ASN 19 -6.618 7.874 -5.559 147 HA ASN 19 HA ASN 19 -4.590 6.113 -6.924 148 HB2 ASN 19 HB2 ASN 19 -5.367 8.947 -7.662 149 HB3 ASN 19 HB1 ASN 19 -4.269 7.887 -8.549 150 HD21 ASN 19 HD21 ASN 19 -7.582 8.778 -8.150 151 HD22 ASN 19 HD22 ASN 19 -8.249 7.582 -9.153 152 H LEU 20 HN LEU 20 -2.447 6.489 -6.319 153 HA LEU 20 HA LEU 20 -1.910 8.831 -4.521 154 HB2 LEU 20 HB2 LEU 20 -0.849 6.004 -4.255 155 HB3 LEU 20 HB1 LEU 20 -0.418 7.365 -3.218 156 HG LEU 20 HG LEU 20 -3.230 6.287 -3.579 157 HD11 LEU 20 HD11 LEU 20 -1.581 4.774 -2.385 158 HD12 LEU 20 HD12 LEU 20 -2.991 5.245 -1.438 159 HD13 LEU 20 HD13 LEU 20 -1.435 6.030 -1.156 160 HD21 LEU 20 HD21 LEU 20 -3.428 7.709 -1.350 161 HD22 LEU 20 HD22 LEU 20 -3.537 8.505 -2.912 162 HD23 LEU 20 HD23 LEU 20 -2.027 8.557 -2.004 163 H LYS 21 HN LYS 21 0.130 9.748 -4.710 164 HA LYS 21 HA LYS 21 1.946 8.705 -6.837 165 HB2 LYS 21 HB2 LYS 21 0.420 10.595 -7.662 166 HB3 LYS 21 HB1 LYS 21 1.292 11.643 -6.543 167 HG2 LYS 21 HG2 LYS 21 3.403 11.146 -7.646 168 HG3 LYS 21 HG1 LYS 21 2.624 9.962 -8.682 169 HD2 LYS 21 HD2 LYS 21 2.851 11.958 -9.991 170 HD3 LYS 21 HD1 LYS 21 1.149 11.829 -9.553 171 HE2 LYS 21 HE2 LYS 21 1.328 13.521 -7.905 172 HE3 LYS 21 HE1 LYS 21 3.088 13.428 -7.876 173 HZ1 LYS 21 HZ1 LYS 21 2.090 14.003 -10.483 174 HZ2 LYS 21 HZ2 LYS 21 3.232 14.849 -9.553 175 HZ3 LYS 21 HZ3 LYS 21 1.574 15.157 -9.354 176 H ALA 22 HN ALA 22 4.020 8.781 -6.240 177 HA ALA 22 HA ALA 22 5.136 10.720 -4.424 178 HB1 ALA 22 HB1 ALA 22 3.933 9.633 -2.672 179 HB2 ALA 22 HB2 ALA 22 5.606 9.096 -2.527 180 HB3 ALA 22 HB3 ALA 22 4.401 8.032 -3.251 181 H LYS 23 HN LYS 23 7.232 9.694 -3.401 182 HA LYS 23 HA LYS 23 8.721 8.431 -5.687 183 HB2 LYS 23 HB2 LYS 23 9.335 10.661 -3.951 184 HB3 LYS 23 HB1 LYS 23 10.574 9.430 -3.732 185 HG2 LYS 23 HG2 LYS 23 11.006 9.378 -6.134 186 HG3 LYS 23 HG1 LYS 23 9.681 10.507 -6.423 187 HD2 LYS 23 HD2 LYS 23 10.830 12.218 -5.084 188 HD3 LYS 23 HD1 LYS 23 12.156 11.094 -4.784 189 HE2 LYS 23 HE2 LYS 23 12.621 10.969 -7.191 190 HE3 LYS 23 HE1 LYS 23 11.277 12.061 -7.518 191 HZ1 LYS 23 HZ1 LYS 23 13.925 12.652 -6.595 192 HZ2 LYS 23 HZ2 LYS 23 12.723 13.371 -5.633 193 HZ3 LYS 23 HZ3 LYS 23 12.773 13.677 -7.303 194 H VAL 24 HN VAL 24 10.334 6.805 -5.206 195 HA VAL 24 HA VAL 24 9.445 5.056 -2.982 196 HB VAL 24 HB VAL 24 11.270 4.643 -5.355 197 HG11 VAL 24 HG11 VAL 24 10.588 2.813 -3.041 198 HG12 VAL 24 HG12 VAL 24 12.191 3.258 -3.629 199 HG13 VAL 24 HG13 VAL 24 11.160 2.209 -4.591 200 HG21 VAL 24 HG21 VAL 24 8.667 3.286 -4.634 201 HG22 VAL 24 HG22 VAL 24 9.503 3.262 -6.186 202 HG23 VAL 24 HG23 VAL 24 8.737 4.747 -5.620 203 H ILE 25 HN ILE 25 10.416 5.573 -1.064 204 HA ILE 25 HA ILE 25 13.040 6.751 -0.851 205 HB ILE 25 HB ILE 25 11.362 5.289 1.204 206 HG12 ILE 25 HG12 ILE 25 10.235 7.249 0.279 207 HG13 ILE 25 HG11 ILE 25 10.737 7.565 1.935 208 HG21 ILE 25 HG21 ILE 25 13.828 7.017 1.483 209 HG22 ILE 25 HG22 ILE 25 13.624 5.342 1.997 210 HG23 ILE 25 HG23 ILE 25 12.756 6.630 2.829 211 HD11 ILE 25 HD11 ILE 25 11.478 9.517 0.936 212 HD12 ILE 25 HD12 ILE 25 11.763 8.737 -0.618 213 HD13 ILE 25 HD13 ILE 25 12.915 8.533 0.696 214 H GLN 26 HN GLN 26 11.890 3.431 -0.972 215 HA GLN 26 HA GLN 26 14.556 2.440 -1.410 216 HB2 GLN 26 HB2 GLN 26 14.669 2.832 1.056 217 HB3 GLN 26 HB1 GLN 26 13.309 1.730 1.262 218 HG2 GLN 26 HG2 GLN 26 14.579 -0.122 0.389 219 HG3 GLN 26 HG1 GLN 26 15.899 0.942 -0.103 220 HE21 GLN 26 HE21 GLN 26 16.445 -1.210 1.645 221 HE22 GLN 26 HE22 GLN 26 16.800 -0.600 3.189 222 H LEU 27 HN LEU 27 14.529 0.073 -1.680 223 HA LEU 27 HA LEU 27 11.786 -0.995 -2.294 224 HB2 LEU 27 HB2 LEU 27 14.414 -1.454 -3.724 225 HB3 LEU 27 HB1 LEU 27 12.933 -2.337 -4.079 226 HG LEU 27 HG LEU 27 13.065 0.683 -4.137 227 HD11 LEU 27 HD11 LEU 27 13.350 -1.189 -6.504 228 HD12 LEU 27 HD12 LEU 27 14.707 -0.353 -5.751 229 HD13 LEU 27 HD13 LEU 27 13.423 0.569 -6.528 230 HD21 LEU 27 HD21 LEU 27 10.801 -0.021 -4.098 231 HD22 LEU 27 HD22 LEU 27 11.121 -1.400 -5.143 232 HD23 LEU 27 HD23 LEU 27 11.143 0.231 -5.804 233 H TRP 28 HN TRP 28 11.399 -3.172 -1.823 234 HA TRP 28 HA TRP 28 13.550 -4.706 -0.466 235 HB2 TRP 28 HB2 TRP 28 12.182 -3.367 1.234 236 HB3 TRP 28 HB1 TRP 28 10.817 -4.386 0.784 237 HD1 TRP 28 HD1 TRP 28 10.636 -6.652 1.950 238 HE1 TRP 28 HE1 TRP 28 12.184 -8.071 3.443 239 HE3 TRP 28 HE3 TRP 28 14.926 -3.901 1.633 240 HZ2 TRP 28 HZ2 TRP 28 14.885 -8.042 4.380 241 HZ3 TRP 28 HZ3 TRP 28 16.971 -4.619 2.835 242 HH2 TRP 28 HH2 TRP 28 16.956 -6.685 4.206 243 H GLU 29 HN GLU 29 13.549 -6.650 -1.384 244 HA GLU 29 HA GLU 29 11.253 -7.593 -2.958 245 HB2 GLU 29 HB2 GLU 29 13.945 -8.851 -2.349 246 HB3 GLU 29 HB1 GLU 29 12.745 -9.552 -3.434 247 HG2 GLU 29 HG2 GLU 29 13.910 -6.778 -3.766 248 HG3 GLU 29 HG1 GLU 29 14.501 -8.202 -4.618 249 H ASN 30 HN ASN 30 9.777 -9.165 -2.327 250 HA ASN 30 HA ASN 30 9.996 -10.109 0.492 251 HB2 ASN 30 HB2 ASN 30 7.711 -10.016 0.495 252 HB3 ASN 30 HB1 ASN 30 7.856 -9.179 -1.048 253 HD21 ASN 30 HD21 ASN 30 6.663 -12.008 0.471 254 HD22 ASN 30 HD22 ASN 30 6.248 -12.865 -0.934 255 H THR 31 HN THR 31 9.939 -12.372 0.989 256 HA THR 31 HA THR 31 10.753 -14.151 -1.281 257 HB THR 31 HB THR 31 11.509 -15.644 0.668 258 HG1 THR 31 HG1 THR 31 10.946 -14.920 2.542 259 HG21 THR 31 HG21 THR 31 12.728 -12.922 0.148 260 HG22 THR 31 HG22 THR 31 13.137 -14.446 -0.639 261 HG23 THR 31 HG23 THR 31 13.548 -14.191 1.057 262 H HIS 32 HN HIS 32 8.147 -13.413 0.772 263 HA HIS 32 HA HIS 32 7.043 -16.080 1.062 264 HB2 HIS 32 HB2 HIS 32 5.623 -13.398 1.168 265 HB3 HIS 32 HB1 HIS 32 5.003 -14.926 1.782 266 HD1 HIS 32 HD1 HIS 32 6.425 -16.034 3.787 267 HD2 HIS 32 HD2 HIS 32 7.316 -12.050 2.937 268 HE1 HIS 32 HE1 HIS 32 7.707 -15.144 5.782 269 H GLU 33 HN GLU 33 5.566 -17.142 -0.252 270 HA GLU 33 HA GLU 33 5.537 -16.518 -3.053 271 HB2 GLU 33 HB2 GLU 33 3.864 -18.412 -1.386 272 HB3 GLU 33 HB1 GLU 33 3.772 -18.330 -3.147 273 HG2 GLU 33 HG2 GLU 33 6.139 -18.887 -3.337 274 HG3 GLU 33 HG1 GLU 33 6.316 -18.856 -1.582 275 H SER 34 HN SER 34 3.279 -15.828 -0.433 276 HA SER 34 HA SER 34 1.071 -15.008 -2.067 277 HB2 SER 34 HB2 SER 34 0.813 -15.423 0.339 278 HB3 SER 34 HB1 SER 34 1.899 -14.087 0.703 279 HG SER 34 HG SER 34 -0.170 -13.307 0.835 280 H ILE 35 HN ILE 35 2.942 -12.741 -0.073 281 HA ILE 35 HA ILE 35 2.429 -10.539 -1.843 282 HB ILE 35 HB ILE 35 4.497 -10.878 0.349 283 HG12 ILE 35 HG12 ILE 35 1.870 -9.366 0.370 284 HG13 ILE 35 HG11 ILE 35 2.029 -11.026 0.946 285 HG21 ILE 35 HG21 ILE 35 3.629 -8.486 -1.286 286 HG22 ILE 35 HG22 ILE 35 5.264 -9.093 -1.034 287 HG23 ILE 35 HG23 ILE 35 4.400 -8.315 0.292 288 HD11 ILE 35 HD11 ILE 35 3.578 -10.373 2.660 289 HD12 ILE 35 HD12 ILE 35 2.228 -9.241 2.743 290 HD13 ILE 35 HD13 ILE 35 3.741 -8.755 1.981 291 H SER 36 HN SER 36 3.800 -9.539 -3.313 292 HA SER 36 HA SER 36 5.973 -11.267 -4.407 293 HB2 SER 36 HB2 SER 36 4.094 -10.391 -5.878 294 HB3 SER 36 HB1 SER 36 4.756 -8.779 -5.632 295 HG SER 36 HG SER 36 5.556 -10.687 -7.323 296 H GLN 37 HN GLN 37 5.379 -7.803 -3.642 297 HA GLN 37 HA GLN 37 8.180 -7.578 -2.729 298 HB2 GLN 37 HB2 GLN 37 7.069 -6.033 -5.084 299 HB3 GLN 37 HB1 GLN 37 8.536 -5.571 -4.220 300 HG2 GLN 37 HG2 GLN 37 9.429 -7.894 -4.690 301 HG3 GLN 37 HG1 GLN 37 8.039 -8.141 -5.743 302 HE21 GLN 37 HE21 GLN 37 10.389 -5.444 -5.244 303 HE22 GLN 37 HE22 GLN 37 10.706 -5.234 -6.898 304 H VAL 38 HN VAL 38 8.553 -5.655 -1.522 305 HA VAL 38 HA VAL 38 6.186 -3.947 -0.922 306 HB VAL 38 HB VAL 38 6.469 -4.200 1.470 307 HG11 VAL 38 HG11 VAL 38 6.539 -6.966 0.233 308 HG12 VAL 38 HG12 VAL 38 5.126 -5.914 0.203 309 HG13 VAL 38 HG13 VAL 38 5.757 -6.493 1.742 310 HG21 VAL 38 HG21 VAL 38 8.148 -6.080 2.201 311 HG22 VAL 38 HG22 VAL 38 8.769 -4.470 1.847 312 HG23 VAL 38 HG23 VAL 38 8.918 -5.757 0.647 313 H GLY 39 HN GLY 39 6.825 -1.881 0.042 314 HA2 GLY 39 HA2 GLY 39 9.637 -1.261 0.398 315 HA3 GLY 39 HA1 GLY 39 9.028 -0.645 -1.138 316 H LEU 40 HN LEU 40 9.709 1.408 0.108 317 HA LEU 40 HA LEU 40 7.386 2.409 1.746 318 HB2 LEU 40 HB2 LEU 40 10.279 3.316 1.822 319 HB3 LEU 40 HB1 LEU 40 8.972 3.910 2.841 320 HG LEU 40 HG LEU 40 8.753 1.249 3.368 321 HD11 LEU 40 HD11 LEU 40 10.828 0.120 3.406 322 HD12 LEU 40 HD12 LEU 40 11.743 1.603 3.135 323 HD13 LEU 40 HD13 LEU 40 10.800 0.898 1.827 324 HD21 LEU 40 HD21 LEU 40 8.947 2.819 5.149 325 HD22 LEU 40 HD22 LEU 40 10.566 3.307 4.647 326 HD23 LEU 40 HD23 LEU 40 10.306 1.714 5.356 327 H LEU 41 HN LEU 41 6.552 4.431 1.189 328 HA LEU 41 HA LEU 41 7.599 5.631 -1.353 329 HB2 LEU 41 HB2 LEU 41 4.790 5.761 -0.222 330 HB3 LEU 41 HB1 LEU 41 5.319 6.346 -1.801 331 HG LEU 41 HG LEU 41 5.414 3.458 -0.878 332 HD11 LEU 41 HD11 LEU 41 3.617 3.126 -2.545 333 HD12 LEU 41 HD12 LEU 41 3.594 4.862 -2.856 334 HD13 LEU 41 HD13 LEU 41 3.121 4.242 -1.274 335 HD21 LEU 41 HD21 LEU 41 5.788 3.198 -3.465 336 HD22 LEU 41 HD22 LEU 41 7.153 3.653 -2.453 337 HD23 LEU 41 HD23 LEU 41 6.301 4.883 -3.389 338 H GLY 42 HN GLY 42 8.449 7.595 -1.120 339 HA2 GLY 42 HA2 GLY 42 8.080 9.068 1.425 340 HA3 GLY 42 HA1 GLY 42 9.299 9.397 0.197 341 H ASP 43 HN ASP 43 6.138 10.182 1.307 342 HA ASP 43 HA ASP 43 5.640 11.877 -1.109 343 HB2 ASP 43 HB2 ASP 43 3.860 10.243 -0.329 344 HB3 ASP 43 HB1 ASP 43 3.697 11.241 1.115 345 H GLU 44 HN GLU 44 4.697 14.040 -0.615 346 HA GLU 44 HA GLU 44 6.374 15.488 1.237 347 HB2 GLU 44 HB2 GLU 44 3.917 16.301 -0.337 348 HB3 GLU 44 HB1 GLU 44 4.938 17.425 0.563 349 HG2 GLU 44 HG2 GLU 44 5.717 17.482 -1.701 350 HG3 GLU 44 HG1 GLU 44 6.900 16.537 -0.796 351 H THR 45 HN THR 45 3.290 13.930 1.517 352 HA THR 45 HA THR 45 2.530 15.514 3.901 353 HB THR 45 HB THR 45 0.461 14.279 3.834 354 HG1 THR 45 HG1 THR 45 1.996 12.385 2.859 355 HG21 THR 45 HG21 THR 45 1.354 14.785 0.983 356 HG22 THR 45 HG22 THR 45 0.800 16.037 2.095 357 HG23 THR 45 HG23 THR 45 -0.308 14.767 1.573 358 H GLY 46 HN GLY 46 4.425 12.792 3.184 359 HA2 GLY 46 HA2 GLY 46 5.430 12.192 5.607 360 HA3 GLY 46 HA1 GLY 46 3.854 11.414 5.741 361 H ILE 47 HN ILE 47 4.623 9.295 5.763 362 HA ILE 47 HA ILE 47 5.651 8.288 3.148 363 HB ILE 47 HB ILE 47 6.752 7.226 5.756 364 HG12 ILE 47 HG12 ILE 47 7.913 9.459 4.056 365 HG13 ILE 47 HG11 ILE 47 7.265 9.644 5.687 366 HG21 ILE 47 HG21 ILE 47 8.430 6.264 4.377 367 HG22 ILE 47 HG22 ILE 47 8.034 7.315 3.019 368 HG23 ILE 47 HG23 ILE 47 6.932 6.020 3.483 369 HD11 ILE 47 HD11 ILE 47 8.960 7.872 6.409 370 HD12 ILE 47 HD12 ILE 47 9.624 9.443 5.962 371 HD13 ILE 47 HD13 ILE 47 9.713 8.094 4.830 372 H ILE 48 HN ILE 48 5.157 6.019 2.793 373 HA ILE 48 HA ILE 48 3.417 4.672 4.759 374 HB ILE 48 HB ILE 48 1.834 6.062 3.508 375 HG12 ILE 48 HG12 ILE 48 1.625 3.194 2.577 376 HG13 ILE 48 HG11 ILE 48 1.293 3.697 4.236 377 HG21 ILE 48 HG21 ILE 48 2.824 4.575 1.063 378 HG22 ILE 48 HG22 ILE 48 3.226 6.248 1.445 379 HG23 ILE 48 HG23 ILE 48 1.555 5.800 1.105 380 HD11 ILE 48 HD11 ILE 48 -0.760 3.587 2.788 381 HD12 ILE 48 HD12 ILE 48 -0.076 4.882 1.806 382 HD13 ILE 48 HD13 ILE 48 -0.477 5.175 3.498 383 H LYS 49 HN LYS 49 3.299 2.433 4.394 384 HA LYS 49 HA LYS 49 5.340 1.381 2.487 385 HB2 LYS 49 HB2 LYS 49 3.867 0.076 4.800 386 HB3 LYS 49 HB1 LYS 49 5.106 -0.708 3.819 387 HG2 LYS 49 HG2 LYS 49 6.743 0.984 4.504 388 HG3 LYS 49 HG1 LYS 49 5.511 1.809 5.457 389 HD2 LYS 49 HD2 LYS 49 5.214 -0.286 6.793 390 HD3 LYS 49 HD1 LYS 49 6.561 -0.998 5.902 391 HE2 LYS 49 HE2 LYS 49 6.748 1.577 7.486 392 HE3 LYS 49 HE1 LYS 49 7.241 0.000 8.102 393 HZ1 LYS 49 HZ1 LYS 49 9.016 -0.099 6.700 394 HZ2 LYS 49 HZ2 LYS 49 8.935 1.585 6.913 395 HZ3 LYS 49 HZ3 LYS 49 8.293 0.872 5.511 396 H PHE 50 HN PHE 50 4.728 0.039 0.743 397 HA PHE 50 HA PHE 50 1.837 -0.736 0.578 398 HB2 PHE 50 HB2 PHE 50 1.839 -0.185 -1.761 399 HB3 PHE 50 HB1 PHE 50 2.517 1.209 -0.925 400 HD1 PHE 50 HD1 PHE 50 5.167 1.142 -0.605 401 HD2 PHE 50 HD2 PHE 50 3.000 -1.046 -3.603 402 HE1 PHE 50 HE1 PHE 50 7.232 0.960 -1.969 403 HE2 PHE 50 HE2 PHE 50 5.063 -1.223 -4.962 404 HZ PHE 50 HZ PHE 50 7.178 -0.225 -4.148 405 H THR 51 HN THR 51 1.505 -2.658 -0.766 406 HA THR 51 HA THR 51 3.925 -4.391 -1.072 407 HB THR 51 HB THR 51 2.846 -5.057 1.005 408 HG1 THR 51 HG1 THR 51 2.193 -6.756 -1.168 409 HG21 THR 51 HG21 THR 51 0.502 -5.646 1.119 410 HG22 THR 51 HG22 THR 51 0.314 -5.409 -0.618 411 HG23 THR 51 HG23 THR 51 0.623 -4.027 0.432 412 H ILE 52 HN ILE 52 3.945 -5.582 -2.904 413 HA ILE 52 HA ILE 52 1.632 -5.270 -4.773 414 HB ILE 52 HB ILE 52 4.508 -6.052 -5.327 415 HG12 ILE 52 HG12 ILE 52 3.041 -3.489 -6.014 416 HG13 ILE 52 HG11 ILE 52 4.057 -3.662 -4.584 417 HG21 ILE 52 HG21 ILE 52 3.773 -5.593 -7.711 418 HG22 ILE 52 HG22 ILE 52 2.114 -5.555 -7.114 419 HG23 ILE 52 HG23 ILE 52 3.063 -7.036 -6.985 420 HD11 ILE 52 HD11 ILE 52 5.110 -2.697 -6.779 421 HD12 ILE 52 HD12 ILE 52 5.153 -4.380 -7.297 422 HD13 ILE 52 HD13 ILE 52 6.020 -3.881 -5.844 423 H TRP 53 HN TRP 53 0.385 -7.017 -5.196 424 HA TRP 53 HA TRP 53 1.170 -9.626 -4.081 425 HB2 TRP 53 HB2 TRP 53 -1.330 -8.656 -5.488 426 HB3 TRP 53 HB1 TRP 53 -1.133 -10.273 -4.809 427 HD1 TRP 53 HD1 TRP 53 -1.174 -6.580 -3.729 428 HE1 TRP 53 HE1 TRP 53 -1.840 -6.467 -1.243 429 HE3 TRP 53 HE3 TRP 53 -1.342 -11.563 -2.640 430 HZ2 TRP 53 HZ2 TRP 53 -2.376 -8.256 0.923 431 HZ3 TRP 53 HZ3 TRP 53 -1.934 -12.332 -0.361 432 HH2 TRP 53 HH2 TRP 53 -2.451 -10.687 1.421 433 H LYS 54 HN LYS 54 1.501 -11.488 -5.299 434 HA LYS 54 HA LYS 54 2.809 -11.359 -7.773 435 HB2 LYS 54 HB2 LYS 54 1.262 -13.532 -6.366 436 HB3 LYS 54 HB1 LYS 54 1.928 -13.837 -7.965 437 HG2 LYS 54 HG2 LYS 54 3.684 -12.692 -5.795 438 HG3 LYS 54 HG1 LYS 54 3.358 -14.421 -5.840 439 HD2 LYS 54 HD2 LYS 54 4.148 -14.454 -8.225 440 HD3 LYS 54 HD1 LYS 54 4.613 -12.764 -8.050 441 HE2 LYS 54 HE2 LYS 54 5.637 -15.011 -6.298 442 HE3 LYS 54 HE1 LYS 54 6.514 -14.330 -7.669 443 HZ1 LYS 54 HZ1 LYS 54 6.436 -13.385 -5.056 444 HZ2 LYS 54 HZ2 LYS 54 5.614 -12.245 -6.012 445 HZ3 LYS 54 HZ3 LYS 54 7.211 -12.685 -6.392 446 H ASN 55 HN ASN 55 -0.626 -11.443 -7.085 447 HA ASN 55 HA ASN 55 -1.590 -12.178 -9.648 448 HB2 ASN 55 HB2 ASN 55 -2.721 -10.448 -7.447 449 HB3 ASN 55 HB1 ASN 55 -3.617 -10.749 -8.936 450 HD21 ASN 55 HD21 ASN 55 -4.621 -11.703 -6.456 451 HD22 ASN 55 HD22 ASN 55 -4.526 -13.399 -6.443 452 H ALA 56 HN ALA 56 0.128 -9.369 -8.698 453 HA ALA 56 HA ALA 56 -0.801 -7.892 -11.135 454 HB1 ALA 56 HB1 ALA 56 -0.319 -5.868 -10.033 455 HB2 ALA 56 HB2 ALA 56 0.694 -6.657 -8.823 456 HB3 ALA 56 HB3 ALA 56 -1.054 -6.851 -8.769 457 H GLU 57 HN GLU 57 1.027 -9.961 -11.411 458 HA GLU 57 HA GLU 57 3.730 -9.726 -11.177 459 HB2 GLU 57 HB2 GLU 57 3.894 -10.516 -13.644 460 HB3 GLU 57 HB1 GLU 57 2.990 -11.524 -12.515 461 HG2 GLU 57 HG2 GLU 57 0.883 -10.542 -13.266 462 HG3 GLU 57 HG1 GLU 57 1.746 -9.443 -14.341 463 H LEU 58 HN LEU 58 4.109 -7.415 -10.878 464 HA LEU 58 HA LEU 58 4.298 -5.852 -13.423 465 HB2 LEU 58 HB2 LEU 58 3.947 -5.107 -10.532 466 HB3 LEU 58 HB1 LEU 58 4.633 -3.928 -11.640 467 HG LEU 58 HG LEU 58 2.082 -5.373 -12.361 468 HD11 LEU 58 HD11 LEU 58 2.285 -2.871 -10.661 469 HD12 LEU 58 HD12 LEU 58 1.707 -4.445 -10.117 470 HD13 LEU 58 HD13 LEU 58 0.796 -3.542 -11.326 471 HD21 LEU 58 HD21 LEU 58 1.665 -3.145 -13.510 472 HD22 LEU 58 HD22 LEU 58 3.025 -4.059 -14.151 473 HD23 LEU 58 HD23 LEU 58 3.310 -2.688 -13.079 474 HA PRO 59 HA PRO 59 8.703 -6.031 -13.296 475 HB2 PRO 59 HB2 PRO 59 9.364 -3.508 -14.231 476 HB3 PRO 59 HB1 PRO 59 8.812 -4.840 -15.261 477 HG2 PRO 59 HG2 PRO 59 7.273 -2.522 -14.186 478 HG3 PRO 59 HG1 PRO 59 7.184 -3.295 -15.780 479 HD2 PRO 59 HD2 PRO 59 5.337 -3.771 -13.839 480 HD3 PRO 59 HD1 PRO 59 5.803 -5.008 -15.025 481 H LEU 60 HN LEU 60 10.629 -5.086 -12.267 482 HA LEU 60 HA LEU 60 10.135 -4.290 -9.557 483 HB2 LEU 60 HB2 LEU 60 12.724 -4.026 -11.105 484 HB3 LEU 60 HB1 LEU 60 12.538 -4.180 -9.356 485 HG LEU 60 HG LEU 60 11.795 -6.275 -11.418 486 HD11 LEU 60 HD11 LEU 60 13.906 -6.432 -9.259 487 HD12 LEU 60 HD12 LEU 60 14.263 -5.865 -10.890 488 HD13 LEU 60 HD13 LEU 60 13.677 -7.509 -10.636 489 HD21 LEU 60 HD21 LEU 60 11.583 -7.656 -9.199 490 HD22 LEU 60 HD22 LEU 60 10.252 -6.609 -9.682 491 HD23 LEU 60 HD23 LEU 60 11.383 -6.079 -8.434 492 H LEU 61 HN LEU 61 10.060 -2.313 -8.635 493 HA LEU 61 HA LEU 61 9.875 0.049 -10.344 494 HB2 LEU 61 HB2 LEU 61 9.573 -0.471 -7.385 495 HB3 LEU 61 HB1 LEU 61 9.569 1.173 -8.025 496 HG LEU 61 HG LEU 61 7.700 0.598 -9.519 497 HD11 LEU 61 HD11 LEU 61 8.113 -2.136 -8.299 498 HD12 LEU 61 HD12 LEU 61 7.991 -1.698 -10.004 499 HD13 LEU 61 HD13 LEU 61 6.555 -1.667 -8.983 500 HD21 LEU 61 HD21 LEU 61 6.002 0.069 -7.667 501 HD22 LEU 61 HD22 LEU 61 7.021 1.487 -7.414 502 HD23 LEU 61 HD23 LEU 61 7.383 -0.021 -6.573 503 H GLU 62 HN GLU 62 11.220 1.942 -10.125 504 HA GLU 62 HA GLU 62 14.028 1.279 -9.397 505 HB2 GLU 62 HB2 GLU 62 12.791 3.537 -10.993 506 HB3 GLU 62 HB1 GLU 62 14.516 3.424 -10.632 507 HG2 GLU 62 HG2 GLU 62 14.652 1.269 -11.771 508 HG3 GLU 62 HG1 GLU 62 12.911 1.276 -12.050 509 H GLN 63 HN GLN 63 14.746 1.897 -7.470 510 HA GLN 63 HA GLN 63 13.276 3.587 -5.675 511 HB2 GLN 63 HB2 GLN 63 15.206 3.386 -4.192 512 HB3 GLN 63 HB1 GLN 63 14.866 1.825 -4.934 513 HG2 GLN 63 HG2 GLN 63 16.521 2.605 -6.769 514 HG3 GLN 63 HG1 GLN 63 17.076 3.757 -5.560 515 HE21 GLN 63 HE21 GLN 63 16.066 1.298 -3.664 516 HE22 GLN 63 HE22 GLN 63 17.482 0.365 -3.578 517 H GLY 64 HN GLY 64 13.707 5.692 -4.998 518 HA2 GLY 64 HA2 GLY 64 14.636 7.857 -5.052 519 HA3 GLY 64 HA1 GLY 64 15.845 7.278 -6.198 520 H GLU 65 HN GLU 65 13.222 6.129 -7.604 521 HA GLU 65 HA GLU 65 12.894 8.537 -9.318 522 HB2 GLU 65 HB2 GLU 65 12.102 5.640 -9.737 523 HB3 GLU 65 HB1 GLU 65 11.866 6.931 -10.915 524 HG2 GLU 65 HG2 GLU 65 14.558 6.159 -9.752 525 HG3 GLU 65 HG1 GLU 65 13.957 5.602 -11.314 526 H SER 66 HN SER 66 10.757 9.057 -10.109 527 HA SER 66 HA SER 66 8.750 8.997 -7.942 528 HB2 SER 66 HB2 SER 66 7.507 10.554 -9.509 529 HB3 SER 66 HB1 SER 66 9.077 11.141 -8.969 530 HG SER 66 HG SER 66 8.751 11.336 -11.250 531 H TYR 67 HN TYR 67 6.671 8.103 -8.175 532 HA TYR 67 HA TYR 67 6.078 6.589 -10.666 533 HB2 TYR 67 HB2 TYR 67 6.409 5.429 -7.902 534 HB3 TYR 67 HB1 TYR 67 5.268 4.692 -9.025 535 HD1 TYR 67 HD1 TYR 67 6.208 4.331 -11.483 536 HD2 TYR 67 HD2 TYR 67 8.630 4.678 -7.955 537 HE1 TYR 67 HE1 TYR 67 8.060 3.157 -12.638 538 HE2 TYR 67 HE2 TYR 67 10.477 3.502 -9.111 539 HH TYR 67 HH TYR 67 10.126 1.714 -11.798 540 H LEU 68 HN LEU 68 3.946 6.330 -11.051 541 HA LEU 68 HA LEU 68 2.045 7.791 -9.252 542 HB2 LEU 68 HB2 LEU 68 2.220 8.873 -11.414 543 HB3 LEU 68 HB1 LEU 68 1.975 7.344 -12.247 544 HG LEU 68 HG LEU 68 -0.290 7.186 -11.398 545 HD11 LEU 68 HD11 LEU 68 -1.170 9.296 -10.143 546 HD12 LEU 68 HD12 LEU 68 0.531 9.582 -9.770 547 HD13 LEU 68 HD13 LEU 68 -0.254 8.099 -9.231 548 HD21 LEU 68 HD21 LEU 68 0.461 9.850 -12.604 549 HD22 LEU 68 HD22 LEU 68 -1.219 9.371 -12.366 550 HD23 LEU 68 HD23 LEU 68 -0.175 8.424 -13.426 551 H LEU 69 HN LEU 69 0.434 6.599 -8.344 552 HA LEU 69 HA LEU 69 0.052 3.789 -9.322 553 HB2 LEU 69 HB2 LEU 69 -0.564 4.935 -6.587 554 HB3 LEU 69 HB1 LEU 69 -0.559 3.237 -7.056 555 HG LEU 69 HG LEU 69 1.867 5.053 -7.097 556 HD11 LEU 69 HD11 LEU 69 2.607 3.878 -5.134 557 HD12 LEU 69 HD12 LEU 69 1.251 2.752 -5.227 558 HD13 LEU 69 HD13 LEU 69 0.967 4.444 -4.815 559 HD21 LEU 69 HD21 LEU 69 1.390 2.156 -7.806 560 HD22 LEU 69 HD22 LEU 69 2.985 2.706 -7.292 561 HD23 LEU 69 HD23 LEU 69 2.244 3.390 -8.735 562 H ARG 70 HN ARG 70 -1.817 3.506 -10.369 563 HA ARG 70 HA ARG 70 -4.179 5.208 -9.616 564 HB2 ARG 70 HB2 ARG 70 -3.333 4.098 -12.299 565 HB3 ARG 70 HB1 ARG 70 -4.942 4.757 -11.993 566 HG2 ARG 70 HG2 ARG 70 -3.961 6.902 -11.328 567 HG3 ARG 70 HG1 ARG 70 -2.346 6.247 -11.566 568 HD2 ARG 70 HD2 ARG 70 -2.814 5.894 -13.951 569 HD3 ARG 70 HD1 ARG 70 -4.451 6.503 -13.723 570 HE ARG 70 HE ARG 70 -2.750 8.530 -12.797 571 HH11 ARG 70 HH21 ARG 70 -3.358 6.765 -15.703 572 HH12 ARG 70 HH22 ARG 70 -2.902 8.072 -16.745 573 HH21 ARG 70 HH11 ARG 70 -2.157 10.240 -14.144 574 HH22 ARG 70 HH12 ARG 70 -2.223 10.037 -15.864 575 H SER 71 HN SER 71 -6.181 4.228 -9.489 576 HA SER 71 HA SER 71 -7.682 2.524 -8.965 577 HB2 SER 71 HB2 SER 71 -6.056 1.358 -11.208 578 HB3 SER 71 HB1 SER 71 -7.266 0.365 -10.404 579 HG SER 71 HG SER 71 -7.779 2.966 -11.402 580 H VAL 72 HN VAL 72 -5.951 2.719 -6.952 581 HA VAL 72 HA VAL 72 -5.046 -0.090 -6.378 582 HB VAL 72 HB VAL 72 -3.606 1.114 -4.596 583 HG11 VAL 72 HG11 VAL 72 -1.823 1.491 -6.218 584 HG12 VAL 72 HG12 VAL 72 -2.998 1.594 -7.528 585 HG13 VAL 72 HG13 VAL 72 -2.743 0.064 -6.686 586 HG21 VAL 72 HG21 VAL 72 -4.811 3.301 -4.845 587 HG22 VAL 72 HG22 VAL 72 -4.141 3.441 -6.470 588 HG23 VAL 72 HG23 VAL 72 -3.068 3.444 -5.071 589 H VAL 73 HN VAL 73 -5.192 -0.641 -4.036 590 HA VAL 73 HA VAL 73 -7.604 0.608 -2.757 591 HB VAL 73 HB VAL 73 -8.071 -1.629 -3.780 592 HG11 VAL 73 HG11 VAL 73 -7.024 -3.604 -2.958 593 HG12 VAL 73 HG12 VAL 73 -6.255 -2.734 -1.632 594 HG13 VAL 73 HG13 VAL 73 -5.707 -2.478 -3.289 595 HG21 VAL 73 HG21 VAL 73 -8.128 -1.549 -0.748 596 HG22 VAL 73 HG22 VAL 73 -9.150 -2.554 -1.775 597 HG23 VAL 73 HG23 VAL 73 -9.320 -0.799 -1.810 598 H VAL 74 HN VAL 74 -7.597 0.673 -0.503 599 HA VAL 74 HA VAL 74 -4.871 0.556 0.722 600 HB VAL 74 HB VAL 74 -6.163 1.853 2.596 601 HG11 VAL 74 HG11 VAL 74 -5.722 3.035 -0.165 602 HG12 VAL 74 HG12 VAL 74 -4.511 2.892 1.110 603 HG13 VAL 74 HG13 VAL 74 -5.891 3.970 1.321 604 HG21 VAL 74 HG21 VAL 74 -8.401 1.233 1.594 605 HG22 VAL 74 HG22 VAL 74 -8.020 2.293 0.239 606 HG23 VAL 74 HG23 VAL 74 -8.185 2.963 1.863 607 H GLY 75 HN GLY 75 -4.413 -0.813 2.408 608 HA2 GLY 75 HA2 GLY 75 -6.608 -2.629 3.348 609 HA3 GLY 75 HA1 GLY 75 -4.928 -3.123 3.166 610 H GLU 76 HN GLU 76 -6.567 -3.207 5.598 611 HA GLU 76 HA GLU 76 -5.423 -1.091 7.323 612 HB2 GLU 76 HB2 GLU 76 -7.792 -1.831 7.591 613 HB3 GLU 76 HB1 GLU 76 -7.213 -3.440 8.018 614 HG2 GLU 76 HG2 GLU 76 -6.017 -2.533 9.946 615 HG3 GLU 76 HG1 GLU 76 -6.501 -0.896 9.502 616 H TYR 77 HN TYR 77 -3.273 -1.511 7.705 617 HA TYR 77 HA TYR 77 -2.449 -4.291 8.413 618 HB2 TYR 77 HB2 TYR 77 -1.101 -3.251 6.698 619 HB3 TYR 77 HB1 TYR 77 -0.854 -1.817 7.688 620 HD1 TYR 77 HD1 TYR 77 -0.369 -5.532 7.772 621 HD2 TYR 77 HD2 TYR 77 1.059 -1.684 9.040 622 HE1 TYR 77 HE1 TYR 77 1.611 -6.607 8.809 623 HE2 TYR 77 HE2 TYR 77 3.039 -2.757 10.075 624 HH TYR 77 HH TYR 77 3.248 -6.116 10.580 625 H ASN 78 HN ASN 78 -2.792 -4.647 10.535 626 HA ASN 78 HA ASN 78 -2.860 -4.298 12.855 627 HB2 ASN 78 HB2 ASN 78 -0.457 -4.707 12.444 628 HB3 ASN 78 HB1 ASN 78 -0.210 -2.975 12.218 629 HD21 ASN 78 HD21 ASN 78 1.098 -2.644 14.116 630 HD22 ASN 78 HD22 ASN 78 0.487 -2.839 15.689 631 H ASP 79 HN ASP 79 -0.934 -1.598 13.260 632 HA ASP 79 HA ASP 79 -3.331 0.079 13.806 633 HB2 ASP 79 HB2 ASP 79 -1.557 -0.293 15.561 634 HB3 ASP 79 HB1 ASP 79 -0.438 0.602 14.534 635 H ARG 80 HN ARG 80 -0.840 -0.262 11.476 636 HA ARG 80 HA ARG 80 -1.184 2.575 10.563 637 HB2 ARG 80 HB2 ARG 80 1.143 1.817 11.027 638 HB3 ARG 80 HB1 ARG 80 0.956 0.579 9.783 639 HG2 ARG 80 HG2 ARG 80 0.552 2.291 8.089 640 HG3 ARG 80 HG1 ARG 80 0.619 3.556 9.317 641 HD2 ARG 80 HD2 ARG 80 2.971 2.805 9.839 642 HD3 ARG 80 HD1 ARG 80 2.878 1.742 8.435 643 HE ARG 80 HE ARG 80 2.149 4.359 7.598 644 HH11 ARG 80 HH21 ARG 80 4.834 2.578 8.834 645 HH12 ARG 80 HH22 ARG 80 6.017 3.542 8.015 646 HH21 ARG 80 HH11 ARG 80 3.680 5.627 6.529 647 HH22 ARG 80 HH12 ARG 80 5.364 5.266 6.710 648 H PHE 81 HN PHE 81 -1.625 2.976 8.360 649 HA PHE 81 HA PHE 81 -3.148 0.808 7.033 650 HB2 PHE 81 HB2 PHE 81 -2.860 3.772 6.448 651 HB3 PHE 81 HB1 PHE 81 -3.846 2.666 5.491 652 HD1 PHE 81 HD2 PHE 81 -5.844 1.598 6.448 653 HD2 PHE 81 HD1 PHE 81 -3.532 4.439 8.692 654 HE1 PHE 81 HE2 PHE 81 -7.701 1.826 8.074 655 HE2 PHE 81 HE1 PHE 81 -5.390 4.665 10.320 656 HZ PHE 81 HZ PHE 81 -7.476 3.360 10.010 657 H GLN 82 HN GLN 82 -2.764 0.422 4.682 658 HA GLN 82 HA GLN 82 -0.100 1.235 3.670 659 HB2 GLN 82 HB2 GLN 82 0.533 -1.093 3.163 660 HB3 GLN 82 HB1 GLN 82 0.328 -0.862 4.898 661 HG2 GLN 82 HG2 GLN 82 -1.919 -1.839 4.788 662 HG3 GLN 82 HG1 GLN 82 -1.775 -2.025 3.041 663 HE21 GLN 82 HE21 GLN 82 -1.791 -4.323 2.984 664 HE22 GLN 82 HE22 GLN 82 -0.567 -5.276 3.674 665 H VAL 83 HN VAL 83 0.138 0.631 1.347 666 HA VAL 83 HA VAL 83 -2.539 0.647 -0.009 667 HB VAL 83 HB VAL 83 0.084 1.321 -1.352 668 HG11 VAL 83 HG11 VAL 83 -2.180 1.021 -2.552 669 HG12 VAL 83 HG12 VAL 83 -1.296 2.512 -2.874 670 HG13 VAL 83 HG13 VAL 83 -2.663 2.522 -1.757 671 HG21 VAL 83 HG21 VAL 83 0.042 2.691 0.673 672 HG22 VAL 83 HG22 VAL 83 -1.625 3.166 0.348 673 HG23 VAL 83 HG23 VAL 83 -0.330 3.699 -0.723 674 H GLN 84 HN GLN 84 -3.102 -1.165 -1.083 675 HA GLN 84 HA GLN 84 -1.004 -3.230 -1.635 676 HB2 GLN 84 HB2 GLN 84 -4.022 -3.426 -1.415 677 HB3 GLN 84 HB1 GLN 84 -2.965 -4.772 -1.846 678 HG2 GLN 84 HG2 GLN 84 -1.782 -4.568 0.284 679 HG3 GLN 84 HG1 GLN 84 -2.761 -3.166 0.716 680 HE21 GLN 84 HE21 GLN 84 -3.154 -4.896 2.609 681 HE22 GLN 84 HE22 GLN 84 -4.521 -5.879 2.399 682 H VAL 85 HN VAL 85 -0.436 -3.580 -3.718 683 HA VAL 85 HA VAL 85 -2.028 -2.286 -5.877 684 HB VAL 85 HB VAL 85 0.694 -3.599 -6.050 685 HG11 VAL 85 HG11 VAL 85 -0.539 -3.304 -8.173 686 HG12 VAL 85 HG12 VAL 85 0.882 -2.262 -8.097 687 HG13 VAL 85 HG13 VAL 85 -0.722 -1.588 -7.812 688 HG21 VAL 85 HG21 VAL 85 0.788 -1.773 -4.430 689 HG22 VAL 85 HG22 VAL 85 -0.065 -0.708 -5.547 690 HG23 VAL 85 HG23 VAL 85 1.565 -1.262 -5.927 691 H ASN 86 HN ASN 86 -3.192 -3.520 -7.309 692 HA ASN 86 HA ASN 86 -2.786 -6.492 -7.270 693 HB2 ASN 86 HB2 ASN 86 -5.262 -6.625 -7.723 694 HB3 ASN 86 HB1 ASN 86 -4.854 -6.012 -6.121 695 HD21 ASN 86 HD21 ASN 86 -6.892 -4.807 -5.998 696 HD22 ASN 86 HD22 ASN 86 -7.130 -3.395 -6.910 697 H LYS 87 HN LYS 87 -4.299 -7.283 -9.293 698 HA LYS 87 HA LYS 87 -2.842 -6.581 -11.636 699 HB2 LYS 87 HB2 LYS 87 -4.069 -8.728 -11.269 700 HB3 LYS 87 HB1 LYS 87 -5.589 -7.852 -11.447 701 HG2 LYS 87 HG2 LYS 87 -4.967 -7.186 -13.722 702 HG3 LYS 87 HG1 LYS 87 -3.410 -7.998 -13.550 703 HD2 LYS 87 HD2 LYS 87 -4.577 -10.155 -13.217 704 HD3 LYS 87 HD1 LYS 87 -6.129 -9.340 -13.417 705 HE2 LYS 87 HE2 LYS 87 -5.471 -8.644 -15.694 706 HE3 LYS 87 HE1 LYS 87 -3.925 -9.468 -15.496 707 HZ1 LYS 87 HZ1 LYS 87 -5.923 -11.280 -14.819 708 HZ2 LYS 87 HZ2 LYS 87 -4.892 -11.321 -16.170 709 HZ3 LYS 87 HZ3 LYS 87 -6.402 -10.550 -16.274 710 H ASN 88 HN ASN 88 -6.025 -5.524 -10.448 711 HA ASN 88 HA ASN 88 -6.688 -3.981 -12.787 712 HB2 ASN 88 HB2 ASN 88 -7.634 -3.570 -9.934 713 HB3 ASN 88 HB1 ASN 88 -8.430 -2.988 -11.395 714 HD21 ASN 88 HD21 ASN 88 -7.775 -5.559 -12.861 715 HD22 ASN 88 HD22 ASN 88 -8.863 -6.706 -12.241 716 H SER 89 HN SER 89 -4.421 -3.474 -10.299 717 HA SER 89 HA SER 89 -4.525 -0.538 -10.380 718 HB2 SER 89 HB2 SER 89 -2.451 -2.391 -9.178 719 HB3 SER 89 HB1 SER 89 -2.546 -0.650 -8.926 720 HG SER 89 HG SER 89 -4.492 -0.927 -7.892 721 H SER 90 HN SER 90 -2.545 0.714 -11.028 722 HA SER 90 HA SER 90 -0.896 -0.614 -13.130 723 HB2 SER 90 HB2 SER 90 -1.439 0.956 -14.790 724 HB3 SER 90 HB1 SER 90 -2.999 0.633 -14.039 725 HG SER 90 HG SER 90 -1.262 2.730 -13.238 726 H ILE 91 HN ILE 91 1.028 0.777 -13.706 727 HA ILE 91 HA ILE 91 1.705 2.803 -11.634 728 HB ILE 91 HB ILE 91 3.422 0.433 -12.432 729 HG12 ILE 91 HG12 ILE 91 2.343 1.256 -9.721 730 HG13 ILE 91 HG11 ILE 91 1.601 0.027 -10.739 731 HG21 ILE 91 HG21 ILE 91 4.873 2.321 -12.218 732 HG22 ILE 91 HG22 ILE 91 4.983 1.459 -10.685 733 HG23 ILE 91 HG23 ILE 91 4.002 2.918 -10.806 734 HD11 ILE 91 HD11 ILE 91 4.342 -0.033 -9.474 735 HD12 ILE 91 HD12 ILE 91 3.862 -1.146 -10.754 736 HD13 ILE 91 HD13 ILE 91 3.005 -1.151 -9.212 737 H GLU 92 HN GLU 92 2.623 4.572 -12.589 738 HA GLU 92 HA GLU 92 3.894 4.250 -15.287 739 HB2 GLU 92 HB2 GLU 92 1.614 5.236 -15.493 740 HB3 GLU 92 HB1 GLU 92 2.107 6.538 -14.414 741 HG2 GLU 92 HG2 GLU 92 3.873 7.202 -15.982 742 HG3 GLU 92 HG1 GLU 92 3.433 5.872 -17.055 743 H LYS 93 HN LYS 93 5.834 5.243 -15.464 744 HA LYS 93 HA LYS 93 7.072 6.380 -13.096 745 HB2 LYS 93 HB2 LYS 93 8.336 5.039 -14.747 746 HB3 LYS 93 HB1 LYS 93 8.059 6.288 -15.960 747 HG2 LYS 93 HG2 LYS 93 9.284 7.920 -14.597 748 HG3 LYS 93 HG1 LYS 93 9.517 6.711 -13.333 749 HD2 LYS 93 HD2 LYS 93 10.770 5.296 -14.931 750 HD3 LYS 93 HD1 LYS 93 10.562 6.530 -16.175 751 HE2 LYS 93 HE2 LYS 93 11.917 7.033 -13.511 752 HE3 LYS 93 HE1 LYS 93 12.784 6.639 -14.996 753 HZ1 LYS 93 HZ1 LYS 93 10.974 8.963 -14.610 754 HZ2 LYS 93 HZ2 LYS 93 11.800 8.581 -16.044 755 HZ3 LYS 93 HZ3 LYS 93 12.668 9.025 -14.653 756 H LEU 94 HN LEU 94 7.348 8.518 -12.591 757 HA LEU 94 HA LEU 94 6.019 10.495 -14.366 758 HB2 LEU 94 HB2 LEU 94 6.207 10.146 -11.537 759 HB3 LEU 94 HB1 LEU 94 7.021 11.662 -11.902 760 HG LEU 94 HG LEU 94 4.649 12.067 -11.487 761 HD11 LEU 94 HD11 LEU 94 4.667 12.427 -14.440 762 HD12 LEU 94 HD12 LEU 94 6.075 13.068 -13.598 763 HD13 LEU 94 HD13 LEU 94 4.463 13.615 -13.154 764 HD21 LEU 94 HD21 LEU 94 2.921 10.850 -12.395 765 HD22 LEU 94 HD22 LEU 94 4.157 9.603 -12.534 766 HD23 LEU 94 HD23 LEU 94 3.743 10.596 -13.930 767 H SER 95 HN SER 95 7.109 11.908 -15.550 768 HA SER 95 HA SER 95 10.017 11.804 -15.655 769 HB2 SER 95 HB2 SER 95 8.633 12.122 -17.689 770 HB3 SER 95 HB1 SER 95 8.067 13.662 -17.045 771 HG SER 95 HG SER 95 10.810 13.039 -17.377 772 H GLU 96 HN GLU 96 7.832 13.443 -13.690 773 HA GLU 96 HA GLU 96 9.730 15.720 -13.234 774 HB2 GLU 96 HB2 GLU 96 6.758 15.472 -12.750 775 HB3 GLU 96 HB1 GLU 96 7.737 16.814 -12.150 776 HG2 GLU 96 HG2 GLU 96 7.720 16.010 -15.065 777 HG3 GLU 96 HG1 GLU 96 6.584 17.189 -14.409 778 HA PRO 97 HA PRO 97 10.426 12.955 -9.588 779 HB2 PRO 97 HB2 PRO 97 12.478 15.096 -9.145 780 HB3 PRO 97 HB1 PRO 97 12.653 13.332 -9.056 781 HG2 PRO 97 HG2 PRO 97 13.592 14.712 -11.134 782 HG3 PRO 97 HG1 PRO 97 12.869 13.105 -11.343 783 HD2 PRO 97 HD2 PRO 97 11.713 15.786 -12.006 784 HD3 PRO 97 HD1 PRO 97 11.477 14.220 -12.816 785 H ILE 98 HN ILE 98 9.999 13.281 -7.346 786 HA ILE 98 HA ILE 98 8.554 15.816 -6.724 787 HB ILE 98 HB ILE 98 8.510 13.109 -5.354 788 HG12 ILE 98 HG12 ILE 98 6.386 14.509 -7.004 789 HG13 ILE 98 HG11 ILE 98 7.475 13.284 -7.655 790 HG21 ILE 98 HG21 ILE 98 7.012 15.694 -4.858 791 HG22 ILE 98 HG22 ILE 98 8.042 14.819 -3.725 792 HG23 ILE 98 HG23 ILE 98 6.489 14.138 -4.213 793 HD11 ILE 98 HD11 ILE 98 5.597 12.874 -5.312 794 HD12 ILE 98 HD12 ILE 98 6.650 11.651 -6.025 795 HD13 ILE 98 HD13 ILE 98 5.306 12.310 -6.956 796 H GLU 99 HN GLU 99 9.324 17.173 -5.163 797 HA GLU 99 HA GLU 99 11.979 16.593 -4.030 798 HB2 GLU 99 HB2 GLU 99 10.161 19.011 -3.825 799 HB3 GLU 99 HB1 GLU 99 11.780 18.924 -3.134 800 HG2 GLU 99 HG2 GLU 99 11.132 18.556 -6.072 801 HG3 GLU 99 HG1 GLU 99 11.754 20.042 -5.359 802 H VAL 100 HN VAL 100 12.348 15.960 -1.981 803 HA VAL 100 HA VAL 100 10.017 15.785 -0.099 804 HB VAL 100 HB VAL 100 12.624 14.226 -0.050 805 HG11 VAL 100 HG11 VAL 100 9.980 13.683 1.327 806 HG12 VAL 100 HG12 VAL 100 11.331 14.506 2.106 807 HG13 VAL 100 HG13 VAL 100 11.506 12.834 1.575 808 HG21 VAL 100 HG21 VAL 100 11.299 12.359 -0.965 809 HG22 VAL 100 HG22 VAL 100 11.288 13.726 -2.079 810 HG23 VAL 100 HG23 VAL 100 9.882 13.406 -1.064 811 H GLY 101 HN GLY 101 10.524 18.121 0.322 812 HA2 GLY 101 HA2 GLY 101 11.737 18.595 2.772 813 HA3 GLY 101 HA1 GLY 101 13.037 18.818 1.601 814 H LEU 102 HN LEU 102 13.158 20.778 0.565 815 HA LEU 102 HA LEU 102 11.054 22.777 1.167 816 HB2 LEU 102 HB2 LEU 102 13.906 22.925 0.186 817 HB3 LEU 102 HB1 LEU 102 12.832 24.319 0.059 818 HG LEU 102 HG LEU 102 12.396 24.203 2.489 819 HD11 LEU 102 HD11 LEU 102 12.641 21.919 3.041 820 HD12 LEU 102 HD12 LEU 102 14.040 22.681 3.793 821 HD13 LEU 102 HD13 LEU 102 14.224 21.809 2.271 822 HD21 LEU 102 HD21 LEU 102 14.680 24.864 3.245 823 HD22 LEU 102 HD22 LEU 102 14.235 25.620 1.716 824 HD23 LEU 102 HD23 LEU 102 15.336 24.242 1.731 825 H GLU 103 HN GLU 103 9.446 22.744 -0.249 826 HA GLU 103 HA GLU 103 9.630 21.835 -2.974 827 HB2 GLU 103 HB2 GLU 103 7.544 21.860 -1.549 828 HB3 GLU 103 HB1 GLU 103 7.504 23.612 -1.743 829 HG2 GLU 103 HG2 GLU 103 6.048 22.691 -3.416 830 HG3 GLU 103 HG1 GLU 103 7.505 23.231 -4.251 831 H HIS 104 HN HIS 104 9.710 25.033 -1.453 832 HA HIS 104 HA HIS 104 10.932 26.147 -3.895 833 HB2 HIS 104 HB2 HIS 104 9.300 28.020 -4.007 834 HB3 HIS 104 HB1 HIS 104 8.532 26.465 -4.334 835 HD1 HIS 104 HD1 HIS 104 8.028 25.359 -1.585 836 HD2 HIS 104 HD2 HIS 104 7.431 29.385 -2.488 837 HE1 HIS 104 HE1 HIS 104 6.414 26.252 0.151 838 H HIS 105 HN HIS 105 12.029 28.153 -3.439 839 HA HIS 105 HA HIS 105 12.964 28.356 -0.703 840 HB2 HIS 105 HB2 HIS 105 13.383 30.067 -3.164 841 HB3 HIS 105 HB1 HIS 105 14.152 30.412 -1.615 842 HD1 HIS 105 HD1 HIS 105 15.843 28.588 -0.699 843 HD2 HIS 105 HD2 HIS 105 14.539 27.953 -4.607 844 HE1 HIS 105 HE1 HIS 105 17.415 26.880 -1.711 845 H HIS 106 HN HIS 106 11.748 31.076 -2.648 846 HA HIS 106 HA HIS 106 10.530 32.966 -1.946 847 HB2 HIS 106 HB2 HIS 106 8.721 31.343 -2.297 848 HB3 HIS 106 HB1 HIS 106 8.923 30.745 -0.650 849 HD1 HIS 106 HD1 HIS 106 8.111 34.007 -2.446 850 HD2 HIS 106 HD2 HIS 106 7.444 32.152 1.227 851 HE1 HIS 106 HE1 HIS 106 6.564 35.532 -1.144 852 H HIS 107 HN HIS 107 9.339 31.499 0.927 853 HA HIS 107 HA HIS 107 9.588 32.180 3.164 854 HB2 HIS 107 HB2 HIS 107 11.520 30.646 2.860 855 HB3 HIS 107 HB1 HIS 107 12.512 32.020 2.373 856 HD1 HIS 107 HD1 HIS 107 13.522 33.428 4.212 857 HD2 HIS 107 HD2 HIS 107 10.580 30.844 5.642 858 HE1 HIS 107 HE1 HIS 107 13.588 33.595 6.738 859 H HIS 108 HN HIS 108 12.549 33.696 3.159 860 HA HIS 108 HA HIS 108 11.441 36.272 3.770 861 HB2 HIS 108 HB2 HIS 108 13.658 35.435 4.588 862 HB3 HIS 108 HB1 HIS 108 14.285 35.612 2.949 863 HD1 HIS 108 HD1 HIS 108 14.129 38.124 1.936 864 HD2 HIS 108 HD2 HIS 108 13.710 37.785 6.070 865 HE1 HIS 108 HE1 HIS 108 14.482 40.445 2.885 866 H HIS 109 HN HIS 109 13.017 34.950 0.869 867 HA HIS 109 HA HIS 109 11.540 36.757 -0.854 868 HB2 HIS 109 HB2 HIS 109 13.467 37.997 -1.740 869 HB3 HIS 109 HB1 HIS 109 13.297 38.301 -0.010 870 HD1 HIS 109 HD1 HIS 109 14.877 36.736 1.566 871 HD2 HIS 109 HD2 HIS 109 15.949 36.982 -2.454 872 HE1 HIS 109 HE1 HIS 109 17.276 35.936 1.415 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -8.550 10.621 -18.408 2 H2 MET 1 HT2 MET 1 -8.935 10.913 -16.779 3 H3 MET 1 HT3 MET 1 -7.483 10.128 -17.186 4 HA MET 1 HA MET 1 -6.400 12.028 -17.485 5 HB2 MET 1 HB2 MET 1 -8.887 12.900 -18.993 6 HB3 MET 1 HB1 MET 1 -7.417 13.867 -18.876 7 HG2 MET 1 HG2 MET 1 -6.123 12.040 -19.912 8 HG3 MET 1 HG1 MET 1 -7.586 11.062 -20.023 9 HE1 MET 1 HE1 MET 1 -5.500 12.041 -22.386 10 HE2 MET 1 HE2 MET 1 -6.681 12.144 -23.689 11 HE3 MET 1 HE3 MET 1 -6.775 10.821 -22.530 12 H GLU 2 HN GLU 2 -8.614 11.450 -15.404 13 HA GLU 2 HA GLU 2 -8.211 13.890 -13.877 14 HB2 GLU 2 HB2 GLU 2 -10.131 14.456 -15.459 15 HB3 GLU 2 HB1 GLU 2 -11.077 13.241 -14.598 16 HG2 GLU 2 HG2 GLU 2 -11.558 15.350 -13.553 17 HG3 GLU 2 HG1 GLU 2 -10.496 14.475 -12.451 18 HA PRO 3 HA PRO 3 -9.209 9.851 -11.659 19 HB2 PRO 3 HB2 PRO 3 -6.729 9.396 -10.578 20 HB3 PRO 3 HB1 PRO 3 -7.212 8.797 -12.178 21 HG2 PRO 3 HG2 PRO 3 -5.569 11.190 -11.472 22 HG3 PRO 3 HG1 PRO 3 -5.351 10.021 -12.788 23 HD2 PRO 3 HD2 PRO 3 -6.474 12.499 -13.167 24 HD3 PRO 3 HD1 PRO 3 -6.878 11.090 -14.172 25 H GLN 4 HN GLN 4 -9.371 9.596 -9.342 26 HA GLN 4 HA GLN 4 -9.524 12.154 -7.934 27 HB2 GLN 4 HB2 GLN 4 -11.265 10.433 -7.646 28 HB3 GLN 4 HB1 GLN 4 -10.066 9.325 -6.979 29 HG2 GLN 4 HG2 GLN 4 -9.661 10.823 -5.102 30 HG3 GLN 4 HG1 GLN 4 -10.728 12.040 -5.800 31 HE21 GLN 4 HE21 GLN 4 -11.260 10.988 -3.208 32 HE22 GLN 4 HE22 GLN 4 -12.672 10.049 -3.278 33 H LEU 5 HN LEU 5 -7.718 13.007 -7.066 34 HA LEU 5 HA LEU 5 -5.529 11.239 -6.159 35 HB2 LEU 5 HB2 LEU 5 -5.649 14.259 -6.309 36 HB3 LEU 5 HB1 LEU 5 -4.210 13.283 -6.019 37 HG LEU 5 HG LEU 5 -5.907 13.204 -8.531 38 HD11 LEU 5 HD11 LEU 5 -4.444 15.261 -8.123 39 HD12 LEU 5 HD12 LEU 5 -4.120 14.369 -9.610 40 HD13 LEU 5 HD13 LEU 5 -3.057 14.173 -8.217 41 HD21 LEU 5 HD21 LEU 5 -4.991 11.054 -8.395 42 HD22 LEU 5 HD22 LEU 5 -3.544 11.607 -7.552 43 HD23 LEU 5 HD23 LEU 5 -3.729 11.904 -9.280 44 H THR 6 HN THR 6 -5.056 10.887 -4.066 45 HA THR 6 HA THR 6 -6.467 12.552 -1.995 46 HB THR 6 HB THR 6 -6.030 9.555 -1.940 47 HG1 THR 6 HG1 THR 6 -8.085 9.416 -2.487 48 HG21 THR 6 HG21 THR 6 -7.171 11.541 0.030 49 HG22 THR 6 HG22 THR 6 -5.901 10.347 0.297 50 HG23 THR 6 HG23 THR 6 -7.573 9.826 0.094 51 H LYS 7 HN LYS 7 -5.330 12.814 -0.024 52 HA LYS 7 HA LYS 7 -2.383 12.555 -0.338 53 HB2 LYS 7 HB2 LYS 7 -4.086 14.106 1.635 54 HB3 LYS 7 HB1 LYS 7 -2.325 14.126 1.589 55 HG2 LYS 7 HG2 LYS 7 -2.388 14.989 -0.720 56 HG3 LYS 7 HG1 LYS 7 -4.151 14.969 -0.678 57 HD2 LYS 7 HD2 LYS 7 -4.162 16.593 1.152 58 HD3 LYS 7 HD1 LYS 7 -2.398 16.577 1.203 59 HE2 LYS 7 HE2 LYS 7 -3.177 18.525 -0.067 60 HE3 LYS 7 HE1 LYS 7 -2.339 17.403 -1.138 61 HZ1 LYS 7 HZ1 LYS 7 -4.855 18.391 -1.498 62 HZ2 LYS 7 HZ2 LYS 7 -5.129 16.819 -0.918 63 HZ3 LYS 7 HZ3 LYS 7 -4.181 17.062 -2.307 64 H ILE 8 HN ILE 8 -1.113 11.501 1.193 65 HA ILE 8 HA ILE 8 -2.097 9.179 2.432 66 HB ILE 8 HB ILE 8 0.298 10.799 3.344 67 HG12 ILE 8 HG12 ILE 8 0.423 10.503 0.926 68 HG13 ILE 8 HG11 ILE 8 1.566 9.404 1.695 69 HG21 ILE 8 HG21 ILE 8 1.197 8.567 3.946 70 HG22 ILE 8 HG22 ILE 8 -0.330 7.836 3.451 71 HG23 ILE 8 HG23 ILE 8 -0.286 8.935 4.829 72 HD11 ILE 8 HD11 ILE 8 -0.438 7.689 1.600 73 HD12 ILE 8 HD12 ILE 8 0.514 8.000 0.154 74 HD13 ILE 8 HD13 ILE 8 -1.052 8.780 0.361 75 H VAL 9 HN VAL 9 -1.502 12.373 3.839 76 HA VAL 9 HA VAL 9 -2.309 11.670 6.515 77 HB VAL 9 HB VAL 9 -0.948 13.688 5.893 78 HG11 VAL 9 HG11 VAL 9 -2.494 14.224 3.915 79 HG12 VAL 9 HG12 VAL 9 -1.965 15.590 4.893 80 HG13 VAL 9 HG13 VAL 9 -3.587 14.933 5.103 81 HG21 VAL 9 HG21 VAL 9 -3.509 14.417 7.339 82 HG22 VAL 9 HG22 VAL 9 -1.907 15.113 7.578 83 HG23 VAL 9 HG23 VAL 9 -2.228 13.450 8.069 84 H ASP 10 HN ASP 10 -4.078 12.053 3.653 85 HA ASP 10 HA ASP 10 -6.586 12.840 5.051 86 HB2 ASP 10 HB2 ASP 10 -6.029 13.925 2.895 87 HB3 ASP 10 HB1 ASP 10 -6.039 12.347 2.109 88 H ILE 11 HN ILE 11 -4.945 10.086 4.811 89 HA ILE 11 HA ILE 11 -7.110 8.316 3.877 90 HB ILE 11 HB ILE 11 -4.360 7.759 5.024 91 HG12 ILE 11 HG12 ILE 11 -5.461 7.373 2.222 92 HG13 ILE 11 HG11 ILE 11 -4.505 8.769 2.722 93 HG21 ILE 11 HG21 ILE 11 -6.538 5.900 4.047 94 HG22 ILE 11 HG22 ILE 11 -5.721 5.880 5.609 95 HG23 ILE 11 HG23 ILE 11 -4.851 5.408 4.155 96 HD11 ILE 11 HD11 ILE 11 -3.628 5.869 2.712 97 HD12 ILE 11 HD12 ILE 11 -2.689 7.169 3.441 98 HD13 ILE 11 HD13 ILE 11 -2.998 7.168 1.703 99 H VAL 12 HN VAL 12 -8.709 7.692 5.234 100 HA VAL 12 HA VAL 12 -8.064 7.107 8.071 101 HB VAL 12 HB VAL 12 -10.030 8.400 8.863 102 HG11 VAL 12 HG11 VAL 12 -8.938 10.526 8.820 103 HG12 VAL 12 HG12 VAL 12 -8.172 10.178 7.271 104 HG13 VAL 12 HG13 VAL 12 -7.653 9.323 8.723 105 HG21 VAL 12 HG21 VAL 12 -10.969 10.132 7.295 106 HG22 VAL 12 HG22 VAL 12 -11.376 8.479 6.837 107 HG23 VAL 12 HG23 VAL 12 -10.103 9.345 5.976 108 H GLU 13 HN GLU 13 -9.323 6.087 5.260 109 HA GLU 13 HA GLU 13 -11.170 4.182 6.646 110 HB2 GLU 13 HB2 GLU 13 -12.474 5.966 5.437 111 HB3 GLU 13 HB1 GLU 13 -11.716 5.431 3.935 112 HG2 GLU 13 HG2 GLU 13 -13.836 4.298 4.095 113 HG3 GLU 13 HG1 GLU 13 -12.594 3.101 4.446 114 H ASN 14 HN ASN 14 -10.744 2.112 6.142 115 HA ASN 14 HA ASN 14 -8.682 1.570 4.066 116 HB2 ASN 14 HB2 ASN 14 -8.427 -0.595 5.126 117 HB3 ASN 14 HB1 ASN 14 -8.387 0.655 6.368 118 HD21 ASN 14 HD21 ASN 14 -9.046 -1.861 7.267 119 HD22 ASN 14 HD22 ASN 14 -10.707 -1.971 7.602 120 H GLY 15 HN GLY 15 -8.983 -0.276 2.625 121 HA2 GLY 15 HA2 GLY 15 -10.224 -1.641 1.166 122 HA3 GLY 15 HA1 GLY 15 -11.626 -1.412 2.212 123 H GLN 16 HN GLN 16 -9.998 1.440 1.187 124 HA GLN 16 HA GLN 16 -12.305 2.079 -0.609 125 HB2 GLN 16 HB2 GLN 16 -11.565 4.436 -0.300 126 HB3 GLN 16 HB1 GLN 16 -11.989 3.646 1.220 127 HG2 GLN 16 HG2 GLN 16 -9.614 3.181 1.655 128 HG3 GLN 16 HG1 GLN 16 -9.177 3.953 0.132 129 HE21 GLN 16 HE21 GLN 16 -7.913 5.264 1.997 130 HE22 GLN 16 HE22 GLN 16 -8.715 6.656 2.544 131 H TRP 17 HN TRP 17 -11.872 3.167 -2.619 132 HA TRP 17 HA TRP 17 -9.280 2.321 -3.851 133 HB2 TRP 17 HB2 TRP 17 -11.957 3.073 -5.057 134 HB3 TRP 17 HB1 TRP 17 -10.512 2.706 -6.000 135 HD1 TRP 17 HD1 TRP 17 -13.294 1.094 -4.052 136 HE1 TRP 17 HE1 TRP 17 -13.062 -1.471 -4.177 137 HE3 TRP 17 HE3 TRP 17 -8.661 0.732 -6.162 138 HZ2 TRP 17 HZ2 TRP 17 -11.159 -3.419 -5.057 139 HZ3 TRP 17 HZ3 TRP 17 -7.661 -1.486 -6.632 140 HH2 TRP 17 HH2 TRP 17 -8.903 -3.560 -6.084 141 H ALA 18 HN ALA 18 -7.847 3.841 -4.509 142 HA ALA 18 HA ALA 18 -8.698 6.564 -5.184 143 HB1 ALA 18 HB1 ALA 18 -6.783 6.223 -2.866 144 HB2 ALA 18 HB2 ALA 18 -8.505 6.537 -2.651 145 HB3 ALA 18 HB3 ALA 18 -7.488 7.723 -3.469 146 H ASN 19 HN ASN 19 -6.583 7.938 -5.545 147 HA ASN 19 HA ASN 19 -4.364 6.201 -6.562 148 HB2 ASN 19 HB2 ASN 19 -5.647 8.423 -8.173 149 HB3 ASN 19 HB1 ASN 19 -4.333 7.363 -8.687 150 HD21 ASN 19 HD21 ASN 19 -7.207 7.695 -9.738 151 HD22 ASN 19 HD22 ASN 19 -7.829 6.115 -9.748 152 H LEU 20 HN LEU 20 -2.340 7.175 -6.414 153 HA LEU 20 HA LEU 20 -2.109 10.042 -5.922 154 HB2 LEU 20 HB2 LEU 20 -2.718 9.220 -3.675 155 HB3 LEU 20 HB1 LEU 20 -1.377 8.080 -3.724 156 HG LEU 20 HG LEU 20 0.213 9.987 -3.940 157 HD11 LEU 20 HD11 LEU 20 -0.879 11.769 -4.940 158 HD12 LEU 20 HD12 LEU 20 -0.980 12.277 -3.260 159 HD13 LEU 20 HD13 LEU 20 -2.369 11.520 -4.037 160 HD21 LEU 20 HD21 LEU 20 -1.693 9.904 -1.605 161 HD22 LEU 20 HD22 LEU 20 -0.312 11.000 -1.625 162 HD23 LEU 20 HD23 LEU 20 -0.055 9.260 -1.718 163 H LYS 21 HN LYS 21 0.008 10.798 -6.184 164 HA LYS 21 HA LYS 21 1.900 8.843 -7.389 165 HB2 LYS 21 HB2 LYS 21 1.236 11.164 -8.396 166 HB3 LYS 21 HB1 LYS 21 2.361 11.826 -7.213 167 HG2 LYS 21 HG2 LYS 21 4.091 10.187 -8.093 168 HG3 LYS 21 HG1 LYS 21 2.969 9.820 -9.403 169 HD2 LYS 21 HD2 LYS 21 4.119 12.552 -8.754 170 HD3 LYS 21 HD1 LYS 21 4.563 11.533 -10.125 171 HE2 LYS 21 HE2 LYS 21 2.987 12.874 -11.168 172 HE3 LYS 21 HE1 LYS 21 1.899 11.631 -10.559 173 HZ1 LYS 21 HZ1 LYS 21 1.415 12.969 -8.657 174 HZ2 LYS 21 HZ2 LYS 21 1.196 13.926 -10.043 175 HZ3 LYS 21 HZ3 LYS 21 2.587 14.117 -9.087 176 H ALA 22 HN ALA 22 3.835 8.343 -6.405 177 HA ALA 22 HA ALA 22 4.744 9.920 -4.052 178 HB1 ALA 22 HB1 ALA 22 3.124 8.028 -3.344 179 HB2 ALA 22 HB2 ALA 22 4.672 8.142 -2.511 180 HB3 ALA 22 HB3 ALA 22 4.436 6.928 -3.770 181 H LYS 23 HN LYS 23 6.869 9.379 -3.377 182 HA LYS 23 HA LYS 23 8.563 8.339 -5.598 183 HB2 LYS 23 HB2 LYS 23 9.083 10.578 -4.704 184 HB3 LYS 23 HB1 LYS 23 9.335 9.874 -3.109 185 HG2 LYS 23 HG2 LYS 23 11.179 8.501 -3.988 186 HG3 LYS 23 HG1 LYS 23 10.912 9.164 -5.601 187 HD2 LYS 23 HD2 LYS 23 11.409 11.427 -4.763 188 HD3 LYS 23 HD1 LYS 23 11.667 10.776 -3.145 189 HE2 LYS 23 HE2 LYS 23 13.519 9.391 -3.991 190 HE3 LYS 23 HE1 LYS 23 13.262 10.030 -5.615 191 HZ1 LYS 23 HZ1 LYS 23 14.994 11.086 -3.943 192 HZ2 LYS 23 HZ2 LYS 23 13.621 11.960 -3.456 193 HZ3 LYS 23 HZ3 LYS 23 14.145 12.026 -5.071 194 H VAL 24 HN VAL 24 10.229 6.765 -5.187 195 HA VAL 24 HA VAL 24 9.477 4.866 -3.035 196 HB VAL 24 HB VAL 24 11.439 4.613 -5.331 197 HG11 VAL 24 HG11 VAL 24 10.371 2.666 -3.277 198 HG12 VAL 24 HG12 VAL 24 12.057 3.057 -3.624 199 HG13 VAL 24 HG13 VAL 24 11.102 2.152 -4.792 200 HG21 VAL 24 HG21 VAL 24 8.692 3.379 -5.043 201 HG22 VAL 24 HG22 VAL 24 9.709 3.430 -6.482 202 HG23 VAL 24 HG23 VAL 24 8.960 4.907 -5.880 203 H ILE 25 HN ILE 25 10.385 5.577 -1.133 204 HA ILE 25 HA ILE 25 13.060 6.691 -0.978 205 HB ILE 25 HB ILE 25 11.331 5.564 1.252 206 HG12 ILE 25 HG12 ILE 25 10.076 7.272 0.032 207 HG13 ILE 25 HG11 ILE 25 10.621 7.942 1.568 208 HG21 ILE 25 HG21 ILE 25 12.649 7.284 2.581 209 HG22 ILE 25 HG22 ILE 25 13.693 7.452 1.170 210 HG23 ILE 25 HG23 ILE 25 13.587 5.903 2.007 211 HD11 ILE 25 HD11 ILE 25 11.201 9.652 0.079 212 HD12 ILE 25 HD12 ILE 25 11.618 8.525 -1.205 213 HD13 ILE 25 HD13 ILE 25 12.708 8.749 0.155 214 H GLN 26 HN GLN 26 11.699 3.480 -0.782 215 HA GLN 26 HA GLN 26 14.325 2.291 -0.933 216 HB2 GLN 26 HB2 GLN 26 14.291 2.869 1.484 217 HB3 GLN 26 HB1 GLN 26 12.811 1.933 1.675 218 HG2 GLN 26 HG2 GLN 26 13.946 -0.118 1.082 219 HG3 GLN 26 HG1 GLN 26 15.402 0.764 0.617 220 HE21 GLN 26 HE21 GLN 26 15.464 -1.284 2.636 221 HE22 GLN 26 HE22 GLN 26 15.808 -0.549 4.127 222 H LEU 27 HN LEU 27 14.178 -0.086 -1.053 223 HA LEU 27 HA LEU 27 11.415 -1.134 -1.496 224 HB2 LEU 27 HB2 LEU 27 13.773 -1.381 -3.379 225 HB3 LEU 27 HB1 LEU 27 12.295 -2.328 -3.519 226 HG LEU 27 HG LEU 27 12.366 0.701 -3.487 227 HD11 LEU 27 HD11 LEU 27 11.735 0.293 -5.990 228 HD12 LEU 27 HD12 LEU 27 12.457 -1.295 -5.751 229 HD13 LEU 27 HD13 LEU 27 13.428 0.159 -5.519 230 HD21 LEU 27 HD21 LEU 27 10.173 0.183 -2.922 231 HD22 LEU 27 HD22 LEU 27 10.206 -1.385 -3.724 232 HD23 LEU 27 HD23 LEU 27 10.028 0.086 -4.670 233 H TRP 28 HN TRP 28 11.307 -3.489 -1.464 234 HA TRP 28 HA TRP 28 13.654 -4.852 -0.250 235 HB2 TRP 28 HB2 TRP 28 12.133 -3.949 1.580 236 HB3 TRP 28 HB1 TRP 28 10.901 -5.045 0.968 237 HD1 TRP 28 HD1 TRP 28 10.909 -7.390 1.926 238 HE1 TRP 28 HE1 TRP 28 12.603 -8.845 3.212 239 HE3 TRP 28 HE3 TRP 28 14.984 -4.311 1.813 240 HZ2 TRP 28 HZ2 TRP 28 15.325 -8.722 4.078 241 HZ3 TRP 28 HZ3 TRP 28 17.113 -5.005 2.875 242 HH2 TRP 28 HH2 TRP 28 17.288 -7.205 4.006 243 H GLU 29 HN GLU 29 13.955 -6.507 -1.580 244 HA GLU 29 HA GLU 29 11.904 -7.623 -3.292 245 HB2 GLU 29 HB2 GLU 29 14.347 -7.660 -3.825 246 HB3 GLU 29 HB1 GLU 29 14.577 -8.837 -2.534 247 HG2 GLU 29 HG2 GLU 29 14.386 -10.072 -4.591 248 HG3 GLU 29 HG1 GLU 29 12.884 -10.319 -3.708 249 H ASN 30 HN ASN 30 10.458 -9.221 -2.853 250 HA ASN 30 HA ASN 30 10.820 -10.798 -0.312 251 HB2 ASN 30 HB2 ASN 30 8.867 -9.199 -0.384 252 HB3 ASN 30 HB1 ASN 30 8.223 -10.141 -1.727 253 HD21 ASN 30 HD21 ASN 30 8.451 -9.980 1.718 254 HD22 ASN 30 HD22 ASN 30 7.746 -11.487 2.055 255 H THR 31 HN THR 31 11.093 -12.938 -0.602 256 HA THR 31 HA THR 31 10.381 -14.114 -3.272 257 HB THR 31 HB THR 31 12.247 -15.443 -1.306 258 HG1 THR 31 HG1 THR 31 13.386 -13.860 -3.244 259 HG21 THR 31 HG21 THR 31 11.354 -16.492 -3.469 260 HG22 THR 31 HG22 THR 31 13.106 -16.484 -3.276 261 HG23 THR 31 HG23 THR 31 12.328 -15.298 -4.325 262 H HIS 32 HN HIS 32 8.884 -13.754 -0.534 263 HA HIS 32 HA HIS 32 8.330 -16.416 0.411 264 HB2 HIS 32 HB2 HIS 32 7.876 -14.179 1.586 265 HB3 HIS 32 HB1 HIS 32 6.446 -14.050 0.563 266 HD1 HIS 32 HD1 HIS 32 4.737 -16.164 0.754 267 HD2 HIS 32 HD2 HIS 32 7.514 -15.753 3.834 268 HE1 HIS 32 HE1 HIS 32 3.886 -17.575 2.677 269 H GLU 33 HN GLU 33 7.888 -15.313 -2.576 270 HA GLU 33 HA GLU 33 6.609 -16.010 -4.392 271 HB2 GLU 33 HB2 GLU 33 6.929 -18.263 -3.286 272 HB3 GLU 33 HB1 GLU 33 5.372 -18.028 -2.500 273 HG2 GLU 33 HG2 GLU 33 4.268 -17.803 -4.671 274 HG3 GLU 33 HG1 GLU 33 5.819 -17.992 -5.490 275 H SER 34 HN SER 34 4.549 -16.178 -1.456 276 HA SER 34 HA SER 34 2.146 -15.375 -2.739 277 HB2 SER 34 HB2 SER 34 1.394 -14.746 -0.460 278 HB3 SER 34 HB1 SER 34 2.194 -16.316 -0.455 279 HG SER 34 HG SER 34 3.575 -15.486 0.882 280 H ILE 35 HN ILE 35 4.728 -13.490 -1.171 281 HA ILE 35 HA ILE 35 3.436 -10.976 -2.144 282 HB ILE 35 HB ILE 35 5.647 -11.429 -0.124 283 HG12 ILE 35 HG12 ILE 35 2.850 -10.333 0.270 284 HG13 ILE 35 HG11 ILE 35 3.251 -12.034 0.504 285 HG21 ILE 35 HG21 ILE 35 5.217 -8.943 0.293 286 HG22 ILE 35 HG22 ILE 35 4.346 -8.934 -1.239 287 HG23 ILE 35 HG23 ILE 35 6.063 -9.334 -1.204 288 HD11 ILE 35 HD11 ILE 35 4.650 -9.753 1.926 289 HD12 ILE 35 HD12 ILE 35 4.858 -11.477 2.233 290 HD13 ILE 35 HD13 ILE 35 3.329 -10.690 2.624 291 H SER 36 HN SER 36 4.408 -9.761 -3.676 292 HA SER 36 HA SER 36 6.732 -10.917 -5.082 293 HB2 SER 36 HB2 SER 36 6.120 -9.535 -6.876 294 HB3 SER 36 HB1 SER 36 4.565 -9.855 -6.113 295 HG SER 36 HG SER 36 5.583 -7.534 -6.578 296 H GLN 37 HN GLN 37 5.864 -7.670 -3.814 297 HA GLN 37 HA GLN 37 8.622 -7.340 -2.821 298 HB2 GLN 37 HB2 GLN 37 8.748 -6.674 -5.214 299 HB3 GLN 37 HB1 GLN 37 7.485 -5.476 -4.925 300 HG2 GLN 37 HG2 GLN 37 8.888 -4.298 -3.332 301 HG3 GLN 37 HG1 GLN 37 10.123 -5.553 -3.437 302 HE21 GLN 37 HE21 GLN 37 11.831 -4.900 -4.741 303 HE22 GLN 37 HE22 GLN 37 11.691 -3.925 -6.123 304 H VAL 38 HN VAL 38 8.844 -5.506 -1.445 305 HA VAL 38 HA VAL 38 6.413 -3.941 -0.787 306 HB VAL 38 HB VAL 38 6.316 -5.986 0.643 307 HG11 VAL 38 HG11 VAL 38 8.028 -6.477 2.217 308 HG12 VAL 38 HG12 VAL 38 8.818 -4.924 1.958 309 HG13 VAL 38 HG13 VAL 38 8.875 -6.164 0.702 310 HG21 VAL 38 HG21 VAL 38 5.382 -3.870 1.480 311 HG22 VAL 38 HG22 VAL 38 6.962 -3.399 2.100 312 HG23 VAL 38 HG23 VAL 38 6.113 -4.773 2.801 313 H GLY 39 HN GLY 39 6.930 -1.969 0.298 314 HA2 GLY 39 HA2 GLY 39 9.595 -1.411 1.253 315 HA3 GLY 39 HA1 GLY 39 9.364 -0.745 -0.358 316 H LEU 40 HN LEU 40 9.624 1.358 0.629 317 HA LEU 40 HA LEU 40 7.162 2.319 2.093 318 HB2 LEU 40 HB2 LEU 40 9.956 3.490 2.256 319 HB3 LEU 40 HB1 LEU 40 8.559 3.905 3.249 320 HG LEU 40 HG LEU 40 9.882 1.176 3.184 321 HD11 LEU 40 HD11 LEU 40 10.605 1.797 5.503 322 HD12 LEU 40 HD12 LEU 40 10.029 3.436 5.200 323 HD13 LEU 40 HD13 LEU 40 11.362 2.780 4.248 324 HD21 LEU 40 HD21 LEU 40 7.534 2.354 4.677 325 HD22 LEU 40 HD22 LEU 40 8.450 1.008 5.356 326 HD23 LEU 40 HD23 LEU 40 7.638 0.825 3.807 327 H LEU 41 HN LEU 41 6.328 4.330 1.451 328 HA LEU 41 HA LEU 41 7.384 5.381 -1.163 329 HB2 LEU 41 HB2 LEU 41 4.551 5.512 -0.098 330 HB3 LEU 41 HB1 LEU 41 5.111 6.030 -1.685 331 HG LEU 41 HG LEU 41 5.218 3.206 -0.631 332 HD11 LEU 41 HD11 LEU 41 2.947 3.683 -1.138 333 HD12 LEU 41 HD12 LEU 41 3.573 2.869 -2.573 334 HD13 LEU 41 HD13 LEU 41 3.389 4.622 -2.565 335 HD21 LEU 41 HD21 LEU 41 6.225 4.535 -3.139 336 HD22 LEU 41 HD22 LEU 41 5.692 2.855 -3.209 337 HD23 LEU 41 HD23 LEU 41 7.010 3.314 -2.136 338 H GLY 42 HN GLY 42 8.110 7.401 -1.135 339 HA2 GLY 42 HA2 GLY 42 7.724 9.041 1.301 340 HA3 GLY 42 HA1 GLY 42 8.916 9.329 0.043 341 H ASP 43 HN ASP 43 5.659 9.946 1.072 342 HA ASP 43 HA ASP 43 5.021 11.380 -1.454 343 HB2 ASP 43 HB2 ASP 43 3.324 9.916 -0.246 344 HB3 ASP 43 HB1 ASP 43 3.304 11.135 1.031 345 H GLU 44 HN GLU 44 4.351 13.614 -1.363 346 HA GLU 44 HA GLU 44 6.112 15.285 0.185 347 HB2 GLU 44 HB2 GLU 44 5.233 15.864 -2.077 348 HB3 GLU 44 HB1 GLU 44 3.624 16.044 -1.377 349 HG2 GLU 44 HG2 GLU 44 4.434 17.834 0.088 350 HG3 GLU 44 HG1 GLU 44 6.069 17.630 -0.539 351 H THR 45 HN THR 45 3.013 13.918 0.807 352 HA THR 45 HA THR 45 2.419 15.921 2.944 353 HB THR 45 HB THR 45 0.214 14.933 3.020 354 HG1 THR 45 HG1 THR 45 0.039 13.183 1.221 355 HG21 THR 45 HG21 THR 45 0.552 16.513 1.202 356 HG22 THR 45 HG22 THR 45 -0.481 15.205 0.630 357 HG23 THR 45 HG23 THR 45 1.221 15.245 0.176 358 H GLY 46 HN GLY 46 3.897 12.883 2.505 359 HA2 GLY 46 HA2 GLY 46 4.780 12.509 5.081 360 HA3 GLY 46 HA1 GLY 46 3.175 11.781 5.115 361 H ILE 47 HN ILE 47 4.132 9.697 5.469 362 HA ILE 47 HA ILE 47 5.269 8.470 2.976 363 HB ILE 47 HB ILE 47 6.751 7.098 4.358 364 HG12 ILE 47 HG12 ILE 47 5.720 8.757 6.687 365 HG13 ILE 47 HG11 ILE 47 5.336 7.060 6.412 366 HG21 ILE 47 HG21 ILE 47 8.356 8.781 4.855 367 HG22 ILE 47 HG22 ILE 47 7.109 9.977 5.206 368 HG23 ILE 47 HG23 ILE 47 7.382 9.450 3.550 369 HD11 ILE 47 HD11 ILE 47 7.778 6.536 6.487 370 HD12 ILE 47 HD12 ILE 47 7.156 7.181 8.007 371 HD13 ILE 47 HD13 ILE 47 8.084 8.218 6.924 372 H ILE 48 HN ILE 48 4.893 6.138 2.843 373 HA ILE 48 HA ILE 48 2.984 4.922 4.676 374 HB ILE 48 HB ILE 48 1.474 6.310 3.316 375 HG12 ILE 48 HG12 ILE 48 1.254 3.407 2.480 376 HG13 ILE 48 HG11 ILE 48 0.853 3.978 4.100 377 HG21 ILE 48 HG21 ILE 48 2.920 6.419 1.299 378 HG22 ILE 48 HG22 ILE 48 1.274 5.923 0.908 379 HG23 ILE 48 HG23 ILE 48 2.563 4.724 0.969 380 HD11 ILE 48 HD11 ILE 48 -0.395 5.015 1.540 381 HD12 ILE 48 HD12 ILE 48 -0.828 5.500 3.178 382 HD13 ILE 48 HD13 ILE 48 -1.150 3.855 2.632 383 H LYS 49 HN LYS 49 2.860 2.682 4.386 384 HA LYS 49 HA LYS 49 5.054 1.500 2.851 385 HB2 LYS 49 HB2 LYS 49 2.882 0.203 4.526 386 HB3 LYS 49 HB1 LYS 49 4.318 -0.606 3.897 387 HG2 LYS 49 HG2 LYS 49 5.756 0.914 5.180 388 HG3 LYS 49 HG1 LYS 49 4.339 1.764 5.784 389 HD2 LYS 49 HD2 LYS 49 3.548 -0.368 6.810 390 HD3 LYS 49 HD1 LYS 49 5.048 -1.139 6.292 391 HE2 LYS 49 HE2 LYS 49 4.875 1.283 8.111 392 HE3 LYS 49 HE1 LYS 49 5.173 -0.370 8.650 393 HZ1 LYS 49 HZ1 LYS 49 7.311 0.050 8.304 394 HZ2 LYS 49 HZ2 LYS 49 6.981 1.513 7.506 395 HZ3 LYS 49 HZ3 LYS 49 6.982 0.051 6.641 396 H PHE 50 HN PHE 50 4.602 -0.486 1.388 397 HA PHE 50 HA PHE 50 1.928 -0.636 0.273 398 HB2 PHE 50 HB2 PHE 50 2.377 0.161 -1.898 399 HB3 PHE 50 HB1 PHE 50 3.123 1.365 -0.852 400 HD1 PHE 50 HD2 PHE 50 5.661 0.998 -0.276 401 HD2 PHE 50 HD1 PHE 50 3.646 -0.893 -3.562 402 HE1 PHE 50 HE2 PHE 50 7.833 0.618 -1.397 403 HE2 PHE 50 HE1 PHE 50 5.822 -1.296 -4.667 404 HZ PHE 50 HZ PHE 50 7.919 -0.541 -3.584 405 H THR 51 HN THR 51 1.693 -2.541 -0.992 406 HA THR 51 HA THR 51 4.111 -4.300 -1.224 407 HB THR 51 HB THR 51 3.031 -5.009 0.815 408 HG1 THR 51 HG1 THR 51 1.987 -7.055 -0.192 409 HG21 THR 51 HG21 THR 51 0.851 -3.912 0.398 410 HG22 THR 51 HG22 THR 51 0.653 -5.592 0.892 411 HG23 THR 51 HG23 THR 51 0.473 -5.147 -0.801 412 H ILE 52 HN ILE 52 4.194 -5.387 -3.087 413 HA ILE 52 HA ILE 52 1.857 -5.179 -4.960 414 HB ILE 52 HB ILE 52 4.773 -5.741 -5.558 415 HG12 ILE 52 HG12 ILE 52 3.156 -3.250 -6.137 416 HG13 ILE 52 HG11 ILE 52 4.169 -3.418 -4.705 417 HG21 ILE 52 HG21 ILE 52 3.435 -6.734 -7.267 418 HG22 ILE 52 HG22 ILE 52 3.926 -5.169 -7.912 419 HG23 ILE 52 HG23 ILE 52 2.299 -5.384 -7.265 420 HD11 ILE 52 HD11 ILE 52 6.149 -3.627 -6.017 421 HD12 ILE 52 HD12 ILE 52 5.253 -2.281 -6.717 422 HD13 ILE 52 HD13 ILE 52 5.227 -3.860 -7.501 423 H TRP 53 HN TRP 53 0.767 -7.009 -5.492 424 HA TRP 53 HA TRP 53 1.652 -9.563 -4.366 425 HB2 TRP 53 HB2 TRP 53 -0.784 -8.684 -5.940 426 HB3 TRP 53 HB1 TRP 53 -0.527 -10.350 -5.419 427 HD1 TRP 53 HD1 TRP 53 -1.683 -7.011 -4.198 428 HE1 TRP 53 HE1 TRP 53 -2.266 -7.145 -1.692 429 HE3 TRP 53 HE3 TRP 53 0.234 -11.610 -3.101 430 HZ2 TRP 53 HZ2 TRP 53 -1.958 -8.969 0.492 431 HZ3 TRP 53 HZ3 TRP 53 0.076 -12.524 -0.804 432 HH2 TRP 53 HH2 TRP 53 -1.016 -11.211 0.993 433 H LYS 54 HN LYS 54 2.409 -11.298 -5.504 434 HA LYS 54 HA LYS 54 3.720 -10.942 -8.006 435 HB2 LYS 54 HB2 LYS 54 4.247 -12.722 -6.313 436 HB3 LYS 54 HB1 LYS 54 2.756 -13.542 -6.774 437 HG2 LYS 54 HG2 LYS 54 3.559 -13.792 -9.070 438 HG3 LYS 54 HG1 LYS 54 5.025 -12.893 -8.678 439 HD2 LYS 54 HD2 LYS 54 5.630 -14.627 -7.012 440 HD3 LYS 54 HD1 LYS 54 4.182 -15.535 -7.446 441 HE2 LYS 54 HE2 LYS 54 6.410 -14.809 -9.370 442 HE3 LYS 54 HE1 LYS 54 6.203 -16.389 -8.616 443 HZ1 LYS 54 HZ1 LYS 54 3.818 -16.157 -9.610 444 HZ2 LYS 54 HZ2 LYS 54 5.107 -16.695 -10.578 445 HZ3 LYS 54 HZ3 LYS 54 4.579 -15.084 -10.679 446 H ASN 55 HN ASN 55 0.527 -12.225 -7.180 447 HA ASN 55 HA ASN 55 -0.179 -13.264 -9.727 448 HB2 ASN 55 HB2 ASN 55 -1.488 -13.657 -7.664 449 HB3 ASN 55 HB1 ASN 55 -1.972 -11.962 -7.655 450 HD21 ASN 55 HD21 ASN 55 -4.250 -12.554 -7.946 451 HD22 ASN 55 HD22 ASN 55 -4.824 -13.115 -9.442 452 H ALA 56 HN ALA 56 0.436 -10.049 -8.820 453 HA ALA 56 HA ALA 56 -1.392 -8.829 -10.779 454 HB1 ALA 56 HB1 ALA 56 -0.650 -6.761 -9.945 455 HB2 ALA 56 HB2 ALA 56 0.920 -7.406 -9.460 456 HB3 ALA 56 HB3 ALA 56 -0.525 -7.807 -8.532 457 H GLU 57 HN GLU 57 1.889 -9.963 -10.603 458 HA GLU 57 HA GLU 57 3.617 -10.039 -12.175 459 HB2 GLU 57 HB2 GLU 57 1.243 -9.876 -14.060 460 HB3 GLU 57 HB1 GLU 57 2.879 -10.344 -14.528 461 HG2 GLU 57 HG2 GLU 57 1.246 -11.763 -12.405 462 HG3 GLU 57 HG1 GLU 57 1.384 -12.309 -14.077 463 H LEU 58 HN LEU 58 3.494 -7.577 -11.125 464 HA LEU 58 HA LEU 58 3.520 -5.663 -13.409 465 HB2 LEU 58 HB2 LEU 58 2.964 -5.436 -10.506 466 HB3 LEU 58 HB1 LEU 58 3.846 -4.081 -11.209 467 HG LEU 58 HG LEU 58 2.112 -3.866 -12.955 468 HD11 LEU 58 HD11 LEU 58 1.217 -6.021 -13.241 469 HD12 LEU 58 HD12 LEU 58 -0.079 -5.169 -12.403 470 HD13 LEU 58 HD13 LEU 58 0.985 -6.255 -11.510 471 HD21 LEU 58 HD21 LEU 58 1.941 -2.616 -10.828 472 HD22 LEU 58 HD22 LEU 58 0.982 -3.931 -10.153 473 HD23 LEU 58 HD23 LEU 58 0.356 -2.987 -11.502 474 HA PRO 59 HA PRO 59 7.929 -5.432 -13.302 475 HB2 PRO 59 HB2 PRO 59 8.348 -2.746 -13.841 476 HB3 PRO 59 HB1 PRO 59 7.887 -3.947 -15.062 477 HG2 PRO 59 HG2 PRO 59 6.191 -1.947 -13.640 478 HG3 PRO 59 HG1 PRO 59 6.113 -2.506 -15.321 479 HD2 PRO 59 HD2 PRO 59 4.392 -3.383 -13.378 480 HD3 PRO 59 HD1 PRO 59 4.850 -4.365 -14.787 481 H LEU 60 HN LEU 60 9.733 -4.727 -12.052 482 HA LEU 60 HA LEU 60 9.097 -4.059 -9.310 483 HB2 LEU 60 HB2 LEU 60 11.796 -4.172 -10.689 484 HB3 LEU 60 HB1 LEU 60 11.509 -4.210 -8.949 485 HG LEU 60 HG LEU 60 10.472 -6.271 -10.918 486 HD11 LEU 60 HD11 LEU 60 12.140 -7.753 -9.726 487 HD12 LEU 60 HD12 LEU 60 12.806 -6.298 -8.986 488 HD13 LEU 60 HD13 LEU 60 12.867 -6.503 -10.736 489 HD21 LEU 60 HD21 LEU 60 8.976 -6.353 -9.119 490 HD22 LEU 60 HD22 LEU 60 10.194 -5.864 -7.941 491 HD23 LEU 60 HD23 LEU 60 10.202 -7.501 -8.592 492 H LEU 61 HN LEU 61 9.435 -2.175 -8.213 493 HA LEU 61 HA LEU 61 9.538 0.289 -9.789 494 HB2 LEU 61 HB2 LEU 61 9.170 -0.368 -6.868 495 HB3 LEU 61 HB1 LEU 61 9.424 1.297 -7.391 496 HG LEU 61 HG LEU 61 7.499 1.109 -8.926 497 HD11 LEU 61 HD11 LEU 61 5.996 -0.951 -8.493 498 HD12 LEU 61 HD12 LEU 61 7.439 -1.700 -7.812 499 HD13 LEU 61 HD13 LEU 61 7.421 -1.187 -9.500 500 HD21 LEU 61 HD21 LEU 61 7.111 1.948 -6.660 501 HD22 LEU 61 HD22 LEU 61 6.934 0.300 -6.056 502 HD23 LEU 61 HD23 LEU 61 5.737 0.966 -7.168 503 H GLU 62 HN GLU 62 11.136 1.926 -9.567 504 HA GLU 62 HA GLU 62 13.815 0.886 -8.736 505 HB2 GLU 62 HB2 GLU 62 13.002 3.175 -10.546 506 HB3 GLU 62 HB1 GLU 62 14.667 2.781 -10.115 507 HG2 GLU 62 HG2 GLU 62 14.445 0.558 -11.084 508 HG3 GLU 62 HG1 GLU 62 12.742 0.853 -11.437 509 H GLN 63 HN GLN 63 14.929 1.836 -7.117 510 HA GLN 63 HA GLN 63 13.562 3.643 -5.337 511 HB2 GLN 63 HB2 GLN 63 15.352 1.837 -4.792 512 HB3 GLN 63 HB1 GLN 63 16.526 3.082 -5.215 513 HG2 GLN 63 HG2 GLN 63 14.324 3.419 -3.149 514 HG3 GLN 63 HG1 GLN 63 16.002 3.042 -2.770 515 HE21 GLN 63 HE21 GLN 63 14.308 5.558 -2.224 516 HE22 GLN 63 HE22 GLN 63 15.250 6.829 -2.841 517 H GLY 64 HN GLY 64 13.717 5.814 -5.140 518 HA2 GLY 64 HA2 GLY 64 14.768 7.953 -5.341 519 HA3 GLY 64 HA1 GLY 64 15.885 7.284 -6.530 520 H GLU 65 HN GLU 65 13.226 5.980 -7.649 521 HA GLU 65 HA GLU 65 12.688 8.255 -9.488 522 HB2 GLU 65 HB2 GLU 65 12.078 5.290 -9.650 523 HB3 GLU 65 HB1 GLU 65 11.552 6.465 -10.854 524 HG2 GLU 65 HG2 GLU 65 13.579 5.687 -11.757 525 HG3 GLU 65 HG1 GLU 65 14.079 7.165 -10.943 526 H SER 66 HN SER 66 10.543 8.741 -10.120 527 HA SER 66 HA SER 66 8.591 8.471 -7.875 528 HB2 SER 66 HB2 SER 66 7.400 10.328 -9.125 529 HB3 SER 66 HB1 SER 66 8.968 10.739 -8.435 530 HG SER 66 HG SER 66 8.229 10.291 -11.108 531 H TYR 67 HN TYR 67 6.584 7.544 -8.184 532 HA TYR 67 HA TYR 67 5.913 6.559 -10.932 533 HB2 TYR 67 HB2 TYR 67 5.918 4.970 -8.356 534 HB3 TYR 67 HB1 TYR 67 5.110 4.445 -9.828 535 HD1 TYR 67 HD1 TYR 67 6.472 4.180 -11.959 536 HD2 TYR 67 HD2 TYR 67 8.258 4.681 -8.090 537 HE1 TYR 67 HE1 TYR 67 8.616 3.290 -12.833 538 HE2 TYR 67 HE2 TYR 67 10.403 3.795 -8.961 539 HH TYR 67 HH TYR 67 10.669 2.134 -11.831 540 H LEU 68 HN LEU 68 3.727 6.111 -11.228 541 HA LEU 68 HA LEU 68 1.914 7.723 -9.458 542 HB2 LEU 68 HB2 LEU 68 1.987 8.450 -11.790 543 HB3 LEU 68 HB1 LEU 68 1.524 6.844 -12.326 544 HG LEU 68 HG LEU 68 -0.612 7.064 -11.097 545 HD11 LEU 68 HD11 LEU 68 -1.112 9.546 -10.389 546 HD12 LEU 68 HD12 LEU 68 0.642 9.674 -10.272 547 HD13 LEU 68 HD13 LEU 68 -0.228 8.496 -9.288 548 HD21 LEU 68 HD21 LEU 68 -1.643 8.679 -12.589 549 HD22 LEU 68 HD22 LEU 68 -0.386 7.818 -13.478 550 HD23 LEU 68 HD23 LEU 68 -0.086 9.452 -12.884 551 H LEU 69 HN LEU 69 0.255 6.699 -8.373 552 HA LEU 69 HA LEU 69 -0.062 3.754 -8.864 553 HB2 LEU 69 HB2 LEU 69 -0.783 5.326 -6.375 554 HB3 LEU 69 HB1 LEU 69 -0.699 3.577 -6.562 555 HG LEU 69 HG LEU 69 1.660 5.450 -6.851 556 HD11 LEU 69 HD11 LEU 69 2.411 4.501 -4.717 557 HD12 LEU 69 HD12 LEU 69 0.944 3.525 -4.621 558 HD13 LEU 69 HD13 LEU 69 0.842 5.285 -4.520 559 HD21 LEU 69 HD21 LEU 69 1.296 2.459 -7.085 560 HD22 LEU 69 HD22 LEU 69 2.856 3.144 -6.632 561 HD23 LEU 69 HD23 LEU 69 2.133 3.559 -8.180 562 H ARG 70 HN ARG 70 -1.797 3.483 -10.163 563 HA ARG 70 HA ARG 70 -4.248 5.134 -9.618 564 HB2 ARG 70 HB2 ARG 70 -3.580 3.599 -12.126 565 HB3 ARG 70 HB1 ARG 70 -4.875 4.767 -11.900 566 HG2 ARG 70 HG2 ARG 70 -3.098 6.498 -11.392 567 HG3 ARG 70 HG1 ARG 70 -1.900 5.306 -11.902 568 HD2 ARG 70 HD2 ARG 70 -4.190 6.310 -13.615 569 HD3 ARG 70 HD1 ARG 70 -2.513 6.830 -13.759 570 HE ARG 70 HE ARG 70 -2.467 4.030 -13.963 571 HH11 ARG 70 HH21 ARG 70 -3.881 6.732 -15.592 572 HH12 ARG 70 HH22 ARG 70 -3.892 5.955 -17.140 573 HH21 ARG 70 HH11 ARG 70 -2.482 3.013 -15.973 574 HH22 ARG 70 HH12 ARG 70 -3.101 3.852 -17.355 575 H SER 71 HN SER 71 -6.228 4.116 -9.453 576 HA SER 71 HA SER 71 -7.681 2.449 -8.740 577 HB2 SER 71 HB2 SER 71 -7.329 0.231 -10.088 578 HB3 SER 71 HB1 SER 71 -7.800 1.694 -10.946 579 HG SER 71 HG SER 71 -5.610 2.023 -11.446 580 H VAL 72 HN VAL 72 -5.983 2.719 -6.765 581 HA VAL 72 HA VAL 72 -4.975 -0.042 -6.121 582 HB VAL 72 HB VAL 72 -3.567 1.138 -4.405 583 HG11 VAL 72 HG11 VAL 72 -2.835 0.460 -6.779 584 HG12 VAL 72 HG12 VAL 72 -1.863 1.678 -5.968 585 HG13 VAL 72 HG13 VAL 72 -3.028 2.162 -7.199 586 HG21 VAL 72 HG21 VAL 72 -4.177 3.650 -5.974 587 HG22 VAL 72 HG22 VAL 72 -3.345 3.498 -4.427 588 HG23 VAL 72 HG23 VAL 72 -5.085 3.235 -4.519 589 H VAL 73 HN VAL 73 -5.141 -0.600 -3.797 590 HA VAL 73 HA VAL 73 -7.654 0.527 -2.582 591 HB VAL 73 HB VAL 73 -7.993 -1.727 -3.567 592 HG11 VAL 73 HG11 VAL 73 -6.101 -2.756 -1.450 593 HG12 VAL 73 HG12 VAL 73 -5.556 -2.411 -3.092 594 HG13 VAL 73 HG13 VAL 73 -6.800 -3.629 -2.813 595 HG21 VAL 73 HG21 VAL 73 -8.975 -2.732 -1.551 596 HG22 VAL 73 HG22 VAL 73 -9.262 -0.993 -1.571 597 HG23 VAL 73 HG23 VAL 73 -8.006 -1.669 -0.533 598 H VAL 74 HN VAL 74 -7.711 0.662 -0.337 599 HA VAL 74 HA VAL 74 -5.026 0.744 0.953 600 HB VAL 74 HB VAL 74 -7.688 1.876 1.845 601 HG11 VAL 74 HG11 VAL 74 -4.876 2.113 2.944 602 HG12 VAL 74 HG12 VAL 74 -6.287 1.449 3.766 603 HG13 VAL 74 HG13 VAL 74 -6.200 3.176 3.417 604 HG21 VAL 74 HG21 VAL 74 -6.890 3.018 -0.137 605 HG22 VAL 74 HG22 VAL 74 -5.255 3.101 0.517 606 HG23 VAL 74 HG23 VAL 74 -6.548 4.049 1.251 607 H GLY 75 HN GLY 75 -4.488 -0.601 2.613 608 HA2 GLY 75 HA2 GLY 75 -6.610 -2.443 3.677 609 HA3 GLY 75 HA1 GLY 75 -4.974 -2.981 3.307 610 H GLU 76 HN GLU 76 -6.233 -3.189 5.869 611 HA GLU 76 HA GLU 76 -4.846 -1.124 7.515 612 HB2 GLU 76 HB2 GLU 76 -7.270 -1.683 7.933 613 HB3 GLU 76 HB1 GLU 76 -6.758 -3.306 8.397 614 HG2 GLU 76 HG2 GLU 76 -6.936 -2.024 10.425 615 HG3 GLU 76 HG1 GLU 76 -5.217 -2.220 10.098 616 H TYR 77 HN TYR 77 -2.706 -1.858 7.383 617 HA TYR 77 HA TYR 77 -2.153 -4.627 8.388 618 HB2 TYR 77 HB2 TYR 77 -1.165 -4.143 6.225 619 HB3 TYR 77 HB1 TYR 77 -0.432 -2.664 6.846 620 HD1 TYR 77 HD2 TYR 77 -0.520 -6.373 7.367 621 HD2 TYR 77 HD1 TYR 77 1.703 -2.728 7.840 622 HE1 TYR 77 HE2 TYR 77 1.457 -7.674 8.109 623 HE2 TYR 77 HE1 TYR 77 3.680 -4.029 8.581 624 HH TYR 77 HH TYR 77 4.570 -6.099 8.718 625 H ASN 78 HN ASN 78 -1.633 -4.760 10.457 626 HA ASN 78 HA ASN 78 -0.900 -4.215 12.601 627 HB2 ASN 78 HB2 ASN 78 1.167 -2.715 10.969 628 HB3 ASN 78 HB1 ASN 78 1.303 -3.072 12.692 629 HD21 ASN 78 HD21 ASN 78 -0.180 -5.752 12.092 630 HD22 ASN 78 HD22 ASN 78 1.048 -6.750 11.486 631 H ASP 79 HN ASP 79 -3.056 -2.732 11.977 632 HA ASP 79 HA ASP 79 -4.229 -0.840 12.669 633 HB2 ASP 79 HB2 ASP 79 -2.737 -1.253 14.743 634 HB3 ASP 79 HB1 ASP 79 -1.743 0.068 14.131 635 H ARG 80 HN ARG 80 -1.314 -0.640 10.944 636 HA ARG 80 HA ARG 80 -1.618 2.269 10.400 637 HB2 ARG 80 HB2 ARG 80 0.498 0.268 9.580 638 HB3 ARG 80 HB1 ARG 80 0.499 1.969 9.111 639 HG2 ARG 80 HG2 ARG 80 0.519 2.629 11.489 640 HG3 ARG 80 HG1 ARG 80 0.527 0.929 11.961 641 HD2 ARG 80 HD2 ARG 80 2.653 2.232 10.238 642 HD3 ARG 80 HD1 ARG 80 2.811 1.962 11.973 643 HE ARG 80 HE ARG 80 2.958 -0.095 9.879 644 HH11 ARG 80 HH21 ARG 80 2.506 0.692 13.214 645 HH12 ARG 80 HH22 ARG 80 2.929 -0.891 13.775 646 HH21 ARG 80 HH11 ARG 80 3.505 -2.156 10.600 647 HH22 ARG 80 HH12 ARG 80 3.492 -2.502 12.297 648 H PHE 81 HN PHE 81 -2.062 3.077 8.360 649 HA PHE 81 HA PHE 81 -3.656 1.367 6.627 650 HB2 PHE 81 HB2 PHE 81 -2.747 4.250 6.442 651 HB3 PHE 81 HB1 PHE 81 -3.746 3.481 5.208 652 HD1 PHE 81 HD1 PHE 81 -6.042 2.728 5.730 653 HD2 PHE 81 HD2 PHE 81 -3.630 4.765 8.642 654 HE1 PHE 81 HE1 PHE 81 -8.058 3.133 7.118 655 HE2 PHE 81 HE2 PHE 81 -5.645 5.172 10.028 656 HZ PHE 81 HZ PHE 81 -7.859 4.355 9.267 657 H GLN 82 HN GLN 82 -3.109 0.677 4.506 658 HA GLN 82 HA GLN 82 -0.390 1.294 3.495 659 HB2 GLN 82 HB2 GLN 82 -0.090 -0.709 4.911 660 HB3 GLN 82 HB1 GLN 82 -1.373 -1.535 4.026 661 HG2 GLN 82 HG2 GLN 82 -0.064 -1.399 1.950 662 HG3 GLN 82 HG1 GLN 82 1.197 -0.500 2.788 663 HE21 GLN 82 HE21 GLN 82 2.930 -1.815 3.367 664 HE22 GLN 82 HE22 GLN 82 2.815 -3.459 3.782 665 H VAL 83 HN VAL 83 -0.179 0.892 1.247 666 HA VAL 83 HA VAL 83 -2.806 0.608 -0.173 667 HB VAL 83 HB VAL 83 -1.260 1.491 -2.132 668 HG11 VAL 83 HG11 VAL 83 -1.681 3.833 -1.340 669 HG12 VAL 83 HG12 VAL 83 -2.166 3.168 0.221 670 HG13 VAL 83 HG13 VAL 83 -3.094 2.783 -1.228 671 HG21 VAL 83 HG21 VAL 83 0.678 2.678 -1.480 672 HG22 VAL 83 HG22 VAL 83 0.781 1.182 -0.562 673 HG23 VAL 83 HG23 VAL 83 0.235 2.656 0.226 674 H GLN 84 HN GLN 84 -3.197 -1.279 -1.127 675 HA GLN 84 HA GLN 84 -0.912 -3.126 -1.693 676 HB2 GLN 84 HB2 GLN 84 -3.896 -3.616 -1.481 677 HB3 GLN 84 HB1 GLN 84 -2.704 -4.849 -1.897 678 HG2 GLN 84 HG2 GLN 84 -1.541 -4.442 0.249 679 HG3 GLN 84 HG1 GLN 84 -2.758 -3.237 0.671 680 HE21 GLN 84 HE21 GLN 84 -4.046 -4.211 2.259 681 HE22 GLN 84 HE22 GLN 84 -4.724 -5.762 2.131 682 H VAL 85 HN VAL 85 -0.315 -3.479 -3.752 683 HA VAL 85 HA VAL 85 -2.007 -2.361 -5.940 684 HB VAL 85 HB VAL 85 0.842 -3.361 -6.083 685 HG11 VAL 85 HG11 VAL 85 -0.704 -1.452 -7.857 686 HG12 VAL 85 HG12 VAL 85 -0.511 -3.172 -8.201 687 HG13 VAL 85 HG13 VAL 85 0.901 -2.117 -8.162 688 HG21 VAL 85 HG21 VAL 85 1.379 -0.876 -6.039 689 HG22 VAL 85 HG22 VAL 85 0.828 -1.540 -4.501 690 HG23 VAL 85 HG23 VAL 85 -0.281 -0.606 -5.506 691 H ASN 86 HN ASN 86 -2.972 -3.704 -7.408 692 HA ASN 86 HA ASN 86 -2.204 -6.603 -7.392 693 HB2 ASN 86 HB2 ASN 86 -4.641 -7.106 -7.676 694 HB3 ASN 86 HB1 ASN 86 -4.253 -6.413 -6.102 695 HD21 ASN 86 HD21 ASN 86 -6.086 -5.160 -5.610 696 HD22 ASN 86 HD22 ASN 86 -6.740 -3.975 -6.636 697 H LYS 87 HN LYS 87 -3.859 -7.506 -9.309 698 HA LYS 87 HA LYS 87 -2.614 -6.696 -11.744 699 HB2 LYS 87 HB2 LYS 87 -3.670 -8.923 -11.333 700 HB3 LYS 87 HB1 LYS 87 -5.253 -8.148 -11.379 701 HG2 LYS 87 HG2 LYS 87 -4.859 -7.414 -13.681 702 HG3 LYS 87 HG1 LYS 87 -3.237 -8.104 -13.645 703 HD2 LYS 87 HD2 LYS 87 -4.210 -10.352 -13.269 704 HD3 LYS 87 HD1 LYS 87 -5.829 -9.655 -13.347 705 HE2 LYS 87 HE2 LYS 87 -3.795 -9.448 -15.585 706 HE3 LYS 87 HE1 LYS 87 -5.059 -10.676 -15.517 707 HZ1 LYS 87 HZ1 LYS 87 -6.023 -8.000 -15.093 708 HZ2 LYS 87 HZ2 LYS 87 -6.609 -9.215 -16.125 709 HZ3 LYS 87 HZ3 LYS 87 -5.322 -8.224 -16.621 710 H ASN 88 HN ASN 88 -5.795 -5.897 -10.349 711 HA ASN 88 HA ASN 88 -6.728 -4.370 -12.591 712 HB2 ASN 88 HB2 ASN 88 -7.445 -4.433 -9.659 713 HB3 ASN 88 HB1 ASN 88 -8.206 -3.277 -10.752 714 HD21 ASN 88 HD21 ASN 88 -9.702 -5.377 -9.467 715 HD22 ASN 88 HD22 ASN 88 -10.244 -6.447 -10.668 716 H SER 89 HN SER 89 -4.468 -3.666 -10.066 717 HA SER 89 HA SER 89 -4.675 -0.755 -10.356 718 HB2 SER 89 HB2 SER 89 -2.613 -2.463 -8.947 719 HB3 SER 89 HB1 SER 89 -2.698 -0.706 -8.864 720 HG SER 89 HG SER 89 -3.955 -2.404 -7.349 721 H SER 90 HN SER 90 -2.722 0.541 -10.996 722 HA SER 90 HA SER 90 -0.964 -0.828 -12.974 723 HB2 SER 90 HB2 SER 90 -1.425 0.809 -14.675 724 HB3 SER 90 HB1 SER 90 -2.969 0.152 -14.145 725 HG SER 90 HG SER 90 -1.752 2.599 -13.394 726 H ILE 91 HN ILE 91 0.902 0.586 -13.595 727 HA ILE 91 HA ILE 91 1.474 2.736 -11.628 728 HB ILE 91 HB ILE 91 3.356 0.451 -12.267 729 HG12 ILE 91 HG12 ILE 91 1.893 1.138 -9.694 730 HG13 ILE 91 HG11 ILE 91 1.468 -0.190 -10.771 731 HG21 ILE 91 HG21 ILE 91 4.499 2.604 -11.870 732 HG22 ILE 91 HG22 ILE 91 4.757 1.517 -10.510 733 HG23 ILE 91 HG23 ILE 91 3.574 2.817 -10.385 734 HD11 ILE 91 HD11 ILE 91 3.735 -1.150 -10.457 735 HD12 ILE 91 HD12 ILE 91 2.834 -1.044 -8.943 736 HD13 ILE 91 HD13 ILE 91 4.093 0.138 -9.307 737 H GLU 92 HN GLU 92 2.413 4.471 -12.601 738 HA GLU 92 HA GLU 92 3.764 4.048 -15.256 739 HB2 GLU 92 HB2 GLU 92 1.891 6.331 -14.549 740 HB3 GLU 92 HB1 GLU 92 2.742 6.115 -16.074 741 HG2 GLU 92 HG2 GLU 92 1.540 3.976 -16.429 742 HG3 GLU 92 HG1 GLU 92 0.660 4.242 -14.922 743 H LYS 93 HN LYS 93 5.665 5.105 -15.453 744 HA LYS 93 HA LYS 93 6.750 6.484 -13.107 745 HB2 LYS 93 HB2 LYS 93 8.121 4.911 -14.444 746 HB3 LYS 93 HB1 LYS 93 7.981 5.987 -15.831 747 HG2 LYS 93 HG2 LYS 93 9.110 7.775 -14.589 748 HG3 LYS 93 HG1 LYS 93 9.202 6.745 -13.159 749 HD2 LYS 93 HD2 LYS 93 10.578 5.123 -14.419 750 HD3 LYS 93 HD1 LYS 93 10.500 6.164 -15.841 751 HE2 LYS 93 HE2 LYS 93 11.623 7.967 -14.594 752 HE3 LYS 93 HE1 LYS 93 11.687 6.944 -13.159 753 HZ1 LYS 93 HZ1 LYS 93 13.732 7.031 -14.660 754 HZ2 LYS 93 HZ2 LYS 93 12.844 6.052 -15.726 755 HZ3 LYS 93 HZ3 LYS 93 13.192 5.504 -14.156 756 H LEU 94 HN LEU 94 7.033 8.667 -12.888 757 HA LEU 94 HA LEU 94 6.090 10.408 -15.152 758 HB2 LEU 94 HB2 LEU 94 5.851 10.559 -12.165 759 HB3 LEU 94 HB1 LEU 94 5.907 12.068 -13.067 760 HG LEU 94 HG LEU 94 3.573 11.156 -12.658 761 HD11 LEU 94 HD11 LEU 94 2.813 12.028 -14.660 762 HD12 LEU 94 HD12 LEU 94 3.987 11.160 -15.636 763 HD13 LEU 94 HD13 LEU 94 4.472 12.600 -14.748 764 HD21 LEU 94 HD21 LEU 94 4.217 9.142 -14.821 765 HD22 LEU 94 HD22 LEU 94 2.828 9.196 -13.758 766 HD23 LEU 94 HD23 LEU 94 4.403 8.730 -13.118 767 H SER 95 HN SER 95 8.847 9.343 -13.776 768 HA SER 95 HA SER 95 11.031 10.187 -13.670 769 HB2 SER 95 HB2 SER 95 11.717 11.088 -15.692 770 HB3 SER 95 HB1 SER 95 10.134 10.483 -16.173 771 HG SER 95 HG SER 95 11.049 13.041 -15.968 772 H GLU 96 HN GLU 96 8.629 11.761 -12.341 773 HA GLU 96 HA GLU 96 10.103 14.311 -11.950 774 HB2 GLU 96 HB2 GLU 96 7.192 13.650 -11.833 775 HB3 GLU 96 HB1 GLU 96 7.840 15.098 -11.059 776 HG2 GLU 96 HG2 GLU 96 8.436 14.429 -13.948 777 HG3 GLU 96 HG1 GLU 96 7.024 15.374 -13.476 778 HA PRO 97 HA PRO 97 10.662 12.271 -7.913 779 HB2 PRO 97 HB2 PRO 97 12.551 14.006 -6.943 780 HB3 PRO 97 HB1 PRO 97 12.924 12.718 -8.105 781 HG2 PRO 97 HG2 PRO 97 12.506 15.634 -8.579 782 HG3 PRO 97 HG1 PRO 97 13.677 14.527 -9.319 783 HD2 PRO 97 HD2 PRO 97 11.360 15.328 -10.527 784 HD3 PRO 97 HD1 PRO 97 12.172 13.787 -10.902 785 H ILE 98 HN ILE 98 10.030 12.728 -5.776 786 HA ILE 98 HA ILE 98 8.424 15.242 -5.453 787 HB ILE 98 HB ILE 98 8.246 12.754 -3.755 788 HG12 ILE 98 HG12 ILE 98 7.835 12.089 -6.066 789 HG13 ILE 98 HG11 ILE 98 6.297 12.160 -5.209 790 HG21 ILE 98 HG21 ILE 98 7.243 14.784 -2.816 791 HG22 ILE 98 HG22 ILE 98 5.968 13.679 -3.331 792 HG23 ILE 98 HG23 ILE 98 6.378 15.075 -4.327 793 HD11 ILE 98 HD11 ILE 98 5.861 13.283 -7.240 794 HD12 ILE 98 HD12 ILE 98 7.412 14.110 -7.222 795 HD13 ILE 98 HD13 ILE 98 6.144 14.599 -6.107 796 H GLU 99 HN GLU 99 8.769 16.577 -3.672 797 HA GLU 99 HA GLU 99 11.374 16.215 -2.332 798 HB2 GLU 99 HB2 GLU 99 9.370 18.494 -2.352 799 HB3 GLU 99 HB1 GLU 99 10.878 18.518 -1.441 800 HG2 GLU 99 HG2 GLU 99 10.723 18.086 -4.439 801 HG3 GLU 99 HG1 GLU 99 11.032 19.650 -3.685 802 H VAL 100 HN VAL 100 11.517 15.321 -0.388 803 HA VAL 100 HA VAL 100 9.082 14.868 1.239 804 HB VAL 100 HB VAL 100 10.870 13.603 2.678 805 HG11 VAL 100 HG11 VAL 100 10.288 12.676 -0.156 806 HG12 VAL 100 HG12 VAL 100 9.174 12.521 1.203 807 HG13 VAL 100 HG13 VAL 100 10.705 11.645 1.214 808 HG21 VAL 100 HG21 VAL 100 12.749 14.810 1.409 809 HG22 VAL 100 HG22 VAL 100 12.376 13.743 0.054 810 HG23 VAL 100 HG23 VAL 100 12.926 13.064 1.586 811 H GLY 101 HN GLY 101 9.969 17.559 0.973 812 HA2 GLY 101 HA2 GLY 101 10.065 19.393 2.461 813 HA3 GLY 101 HA1 GLY 101 10.267 18.260 3.798 814 H LEU 102 HN LEU 102 12.336 17.896 1.056 815 HA LEU 102 HA LEU 102 14.664 18.487 2.707 816 HB2 LEU 102 HB2 LEU 102 14.683 16.554 1.179 817 HB3 LEU 102 HB1 LEU 102 14.455 17.627 -0.201 818 HG LEU 102 HG LEU 102 16.606 18.748 0.333 819 HD11 LEU 102 HD11 LEU 102 18.051 17.287 2.025 820 HD12 LEU 102 HD12 LEU 102 16.469 16.877 2.684 821 HD13 LEU 102 HD13 LEU 102 16.988 18.560 2.617 822 HD21 LEU 102 HD21 LEU 102 18.049 16.978 -0.414 823 HD22 LEU 102 HD22 LEU 102 16.477 16.731 -1.175 824 HD23 LEU 102 HD23 LEU 102 16.953 15.745 0.210 825 H GLU 103 HN GLU 103 14.926 20.639 3.017 826 HA GLU 103 HA GLU 103 15.887 22.286 0.840 827 HB2 GLU 103 HB2 GLU 103 13.391 22.334 0.470 828 HB3 GLU 103 HB1 GLU 103 13.230 23.094 2.054 829 HG2 GLU 103 HG2 GLU 103 13.269 24.864 0.427 830 HG3 GLU 103 HG1 GLU 103 14.830 24.888 1.245 831 H HIS 104 HN HIS 104 14.741 21.967 4.141 832 HA HIS 104 HA HIS 104 16.083 24.439 5.023 833 HB2 HIS 104 HB2 HIS 104 14.700 22.233 6.592 834 HB3 HIS 104 HB1 HIS 104 15.268 23.760 7.266 835 HD1 HIS 104 HD1 HIS 104 14.221 25.958 5.865 836 HD2 HIS 104 HD2 HIS 104 12.070 22.389 5.778 837 HE1 HIS 104 HE1 HIS 104 11.857 26.563 5.184 838 H HIS 105 HN HIS 105 17.401 21.886 3.862 839 HA HIS 105 HA HIS 105 18.956 20.607 5.868 840 HB2 HIS 105 HB2 HIS 105 18.786 19.844 3.495 841 HB3 HIS 105 HB1 HIS 105 19.752 21.235 3.006 842 HD1 HIS 105 HD1 HIS 105 20.023 18.175 5.257 843 HD2 HIS 105 HD2 HIS 105 22.489 20.821 3.184 844 HE1 HIS 105 HE1 HIS 105 22.384 17.288 5.493 845 H HIS 106 HN HIS 106 19.631 23.510 3.906 846 HA HIS 106 HA HIS 106 22.208 23.995 5.111 847 HB2 HIS 106 HB2 HIS 106 20.311 25.846 3.633 848 HB3 HIS 106 HB1 HIS 106 21.955 26.278 4.106 849 HD1 HIS 106 HD1 HIS 106 23.911 24.792 3.039 850 HD2 HIS 106 HD2 HIS 106 20.148 24.291 1.317 851 HE1 HIS 106 HE1 HIS 106 24.287 23.621 0.825 852 H HIS 107 HN HIS 107 22.737 25.226 6.881 853 HA HIS 107 HA HIS 107 20.491 26.470 8.446 854 HB2 HIS 107 HB2 HIS 107 21.687 25.707 10.495 855 HB3 HIS 107 HB1 HIS 107 21.102 24.365 9.511 856 HD1 HIS 107 HD1 HIS 107 22.981 23.318 7.815 857 HD2 HIS 107 HD2 HIS 107 24.412 25.620 10.982 858 HE1 HIS 107 HE1 HIS 107 25.445 22.772 8.042 859 H HIS 108 HN HIS 108 21.557 28.292 7.012 860 HA HIS 108 HA HIS 108 22.974 30.166 6.887 861 HB2 HIS 108 HB2 HIS 108 22.571 29.789 9.866 862 HB3 HIS 108 HB1 HIS 108 23.389 31.194 9.183 863 HD1 HIS 108 HD1 HIS 108 20.030 29.435 9.119 864 HD2 HIS 108 HD2 HIS 108 21.681 33.122 8.092 865 HE1 HIS 108 HE1 HIS 108 18.088 30.948 8.522 866 H HIS 109 HN HIS 109 25.066 31.036 8.486 867 HA HIS 109 HA HIS 109 26.972 28.806 8.831 868 HB2 HIS 109 HB2 HIS 109 27.300 30.973 6.739 869 HB3 HIS 109 HB1 HIS 109 28.636 29.978 7.316 870 HD1 HIS 109 HD1 HIS 109 25.401 29.767 5.389 871 HD2 HIS 109 HD2 HIS 109 28.637 27.320 6.348 872 HE1 HIS 109 HE1 HIS 109 25.169 27.683 3.969 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -12.840 13.408 -14.499 2 H2 MET 1 HT2 MET 1 -13.607 14.259 -15.755 3 H3 MET 1 HT3 MET 1 -12.400 15.013 -14.829 4 HA MET 1 HA MET 1 -12.108 12.914 -16.882 5 HB2 MET 1 HB2 MET 1 -10.734 15.559 -16.319 6 HB3 MET 1 HB1 MET 1 -10.353 14.489 -17.667 7 HG2 MET 1 HG2 MET 1 -13.081 15.711 -17.163 8 HG3 MET 1 HG1 MET 1 -11.902 16.349 -18.306 9 HE1 MET 1 HE1 MET 1 -11.390 15.596 -20.454 10 HE2 MET 1 HE2 MET 1 -11.825 14.077 -21.232 11 HE3 MET 1 HE3 MET 1 -10.625 14.084 -19.945 12 H GLU 2 HN GLU 2 -10.123 14.687 -14.479 13 HA GLU 2 HA GLU 2 -8.106 12.611 -14.473 14 HB2 GLU 2 HB2 GLU 2 -8.620 15.096 -12.848 15 HB3 GLU 2 HB1 GLU 2 -7.370 13.961 -12.341 16 HG2 GLU 2 HG2 GLU 2 -6.232 14.177 -14.474 17 HG3 GLU 2 HG1 GLU 2 -7.540 15.175 -15.112 18 HA PRO 3 HA PRO 3 -9.866 9.890 -11.437 19 HB2 PRO 3 HB2 PRO 3 -7.618 8.864 -10.258 20 HB3 PRO 3 HB1 PRO 3 -8.136 8.425 -11.898 21 HG2 PRO 3 HG2 PRO 3 -6.053 10.389 -11.040 22 HG3 PRO 3 HG1 PRO 3 -6.002 9.200 -12.355 23 HD2 PRO 3 HD2 PRO 3 -6.527 11.841 -12.806 24 HD3 PRO 3 HD1 PRO 3 -7.232 10.550 -13.804 25 H GLN 4 HN GLN 4 -9.838 9.418 -9.019 26 HA GLN 4 HA GLN 4 -9.816 11.958 -7.563 27 HB2 GLN 4 HB2 GLN 4 -10.445 9.126 -6.664 28 HB3 GLN 4 HB1 GLN 4 -10.729 10.581 -5.705 29 HG2 GLN 4 HG2 GLN 4 -11.939 10.061 -8.439 30 HG3 GLN 4 HG1 GLN 4 -12.782 9.809 -6.909 31 HE21 GLN 4 HE21 GLN 4 -12.625 12.007 -9.342 32 HE22 GLN 4 HE22 GLN 4 -12.911 13.439 -8.477 33 H LEU 5 HN LEU 5 -7.915 12.701 -6.780 34 HA LEU 5 HA LEU 5 -5.693 10.877 -6.186 35 HB2 LEU 5 HB2 LEU 5 -5.943 13.869 -5.763 36 HB3 LEU 5 HB1 LEU 5 -4.448 12.935 -5.713 37 HG LEU 5 HG LEU 5 -6.266 13.196 -8.128 38 HD11 LEU 5 HD11 LEU 5 -3.511 14.372 -7.658 39 HD12 LEU 5 HD12 LEU 5 -5.015 15.279 -7.487 40 HD13 LEU 5 HD13 LEU 5 -4.550 14.630 -9.060 41 HD21 LEU 5 HD21 LEU 5 -5.187 11.133 -8.418 42 HD22 LEU 5 HD22 LEU 5 -3.735 11.655 -7.563 43 HD23 LEU 5 HD23 LEU 5 -4.054 12.233 -9.197 44 H THR 6 HN THR 6 -5.186 10.114 -4.201 45 HA THR 6 HA THR 6 -6.592 11.277 -1.816 46 HB THR 6 HB THR 6 -5.741 8.403 -2.301 47 HG1 THR 6 HG1 THR 6 -8.340 9.470 -1.994 48 HG21 THR 6 HG21 THR 6 -7.040 8.023 -0.186 49 HG22 THR 6 HG22 THR 6 -7.141 9.773 0.005 50 HG23 THR 6 HG23 THR 6 -5.571 8.972 0.048 51 H LYS 7 HN LYS 7 -5.284 11.953 -0.193 52 HA LYS 7 HA LYS 7 -2.352 11.597 -0.525 53 HB2 LYS 7 HB2 LYS 7 -3.999 13.472 1.191 54 HB3 LYS 7 HB1 LYS 7 -2.243 13.420 1.182 55 HG2 LYS 7 HG2 LYS 7 -2.229 13.942 -1.226 56 HG3 LYS 7 HG1 LYS 7 -3.993 13.985 -1.228 57 HD2 LYS 7 HD2 LYS 7 -3.971 15.849 0.369 58 HD3 LYS 7 HD1 LYS 7 -2.210 15.791 0.434 59 HE2 LYS 7 HE2 LYS 7 -2.905 17.556 -1.105 60 HE3 LYS 7 HE1 LYS 7 -2.133 16.255 -2.010 61 HZ1 LYS 7 HZ1 LYS 7 -4.793 17.236 -2.196 62 HZ2 LYS 7 HZ2 LYS 7 -4.790 15.570 -1.863 63 HZ3 LYS 7 HZ3 LYS 7 -3.968 16.168 -3.225 64 H ILE 8 HN ILE 8 -1.070 11.008 1.295 65 HA ILE 8 HA ILE 8 -1.852 8.728 2.719 66 HB ILE 8 HB ILE 8 0.100 10.794 3.762 67 HG12 ILE 8 HG12 ILE 8 0.626 10.400 1.429 68 HG13 ILE 8 HG11 ILE 8 1.795 9.532 2.419 69 HG21 ILE 8 HG21 ILE 8 -0.107 7.784 4.049 70 HG22 ILE 8 HG22 ILE 8 -0.329 8.982 5.323 71 HG23 ILE 8 HG23 ILE 8 1.264 8.744 4.606 72 HD11 ILE 8 HD11 ILE 8 1.196 7.951 0.810 73 HD12 ILE 8 HD12 ILE 8 -0.501 8.437 0.814 74 HD13 ILE 8 HD13 ILE 8 0.156 7.518 2.166 75 H VAL 9 HN VAL 9 -1.772 12.071 3.909 76 HA VAL 9 HA VAL 9 -2.987 11.460 6.465 77 HB VAL 9 HB VAL 9 -1.616 13.510 6.002 78 HG11 VAL 9 HG11 VAL 9 -2.539 15.335 4.760 79 HG12 VAL 9 HG12 VAL 9 -4.113 14.548 4.641 80 HG13 VAL 9 HG13 VAL 9 -2.734 13.904 3.748 81 HG21 VAL 9 HG21 VAL 9 -4.416 14.245 6.888 82 HG22 VAL 9 HG22 VAL 9 -2.888 14.927 7.445 83 HG23 VAL 9 HG23 VAL 9 -3.335 13.281 7.894 84 H ASP 10 HN ASP 10 -4.257 11.707 3.301 85 HA ASP 10 HA ASP 10 -6.986 12.443 4.212 86 HB2 ASP 10 HB2 ASP 10 -6.120 13.390 2.103 87 HB3 ASP 10 HB1 ASP 10 -5.912 11.761 1.460 88 H ILE 11 HN ILE 11 -5.125 9.680 4.081 89 HA ILE 11 HA ILE 11 -6.830 7.730 2.942 90 HB ILE 11 HB ILE 11 -4.894 7.533 5.264 91 HG12 ILE 11 HG12 ILE 11 -4.603 6.582 2.406 92 HG13 ILE 11 HG11 ILE 11 -4.073 8.176 2.944 93 HG21 ILE 11 HG21 ILE 11 -4.938 5.049 4.629 94 HG22 ILE 11 HG22 ILE 11 -6.433 5.403 3.761 95 HG23 ILE 11 HG23 ILE 11 -6.345 5.654 5.504 96 HD11 ILE 11 HD11 ILE 11 -3.189 5.636 4.326 97 HD12 ILE 11 HD12 ILE 11 -2.483 7.244 4.462 98 HD13 ILE 11 HD13 ILE 11 -2.296 6.325 2.970 99 H VAL 12 HN VAL 12 -6.395 8.049 6.475 100 HA VAL 12 HA VAL 12 -7.858 7.275 8.133 101 HB VAL 12 HB VAL 12 -9.755 8.934 8.341 102 HG11 VAL 12 HG11 VAL 12 -7.557 9.338 9.343 103 HG12 VAL 12 HG12 VAL 12 -8.192 10.846 8.685 104 HG13 VAL 12 HG13 VAL 12 -6.947 9.958 7.809 105 HG21 VAL 12 HG21 VAL 12 -8.460 10.146 5.880 106 HG22 VAL 12 HG22 VAL 12 -9.861 10.759 6.759 107 HG23 VAL 12 HG23 VAL 12 -9.985 9.257 5.842 108 H GLU 13 HN GLU 13 -8.226 5.781 5.606 109 HA GLU 13 HA GLU 13 -10.736 4.504 6.288 110 HB2 GLU 13 HB2 GLU 13 -11.575 6.458 5.014 111 HB3 GLU 13 HB1 GLU 13 -10.560 5.989 3.650 112 HG2 GLU 13 HG2 GLU 13 -11.745 3.855 3.463 113 HG3 GLU 13 HG1 GLU 13 -12.721 4.254 4.876 114 H ASN 14 HN ASN 14 -10.056 2.422 6.075 115 HA ASN 14 HA ASN 14 -8.004 1.718 4.081 116 HB2 ASN 14 HB2 ASN 14 -8.101 -0.520 5.144 117 HB3 ASN 14 HB1 ASN 14 -7.852 0.755 6.334 118 HD21 ASN 14 HD21 ASN 14 -8.809 -0.842 7.920 119 HD22 ASN 14 HD22 ASN 14 -10.498 -0.982 8.018 120 H GLY 15 HN GLY 15 -8.334 0.062 2.459 121 HA2 GLY 15 HA2 GLY 15 -9.581 -1.176 0.902 122 HA3 GLY 15 HA1 GLY 15 -10.988 -1.006 1.956 123 H GLN 16 HN GLN 16 -9.226 1.840 1.026 124 HA GLN 16 HA GLN 16 -11.609 2.774 -0.479 125 HB2 GLN 16 HB2 GLN 16 -10.596 4.190 1.322 126 HB3 GLN 16 HB1 GLN 16 -9.131 4.315 0.347 127 HG2 GLN 16 HG2 GLN 16 -10.456 5.305 -1.496 128 HG3 GLN 16 HG1 GLN 16 -11.903 5.211 -0.493 129 HE21 GLN 16 HE21 GLN 16 -9.355 5.868 1.600 130 HE22 GLN 16 HE22 GLN 16 -9.470 7.562 1.637 131 H TRP 17 HN TRP 17 -11.578 3.178 -2.652 132 HA TRP 17 HA TRP 17 -9.182 2.316 -4.178 133 HB2 TRP 17 HB2 TRP 17 -12.039 2.944 -4.983 134 HB3 TRP 17 HB1 TRP 17 -10.773 2.510 -6.134 135 HD1 TRP 17 HD1 TRP 17 -13.095 1.048 -3.548 136 HE1 TRP 17 HE1 TRP 17 -12.825 -1.516 -3.504 137 HE3 TRP 17 HE3 TRP 17 -8.961 0.547 -6.502 138 HZ2 TRP 17 HZ2 TRP 17 -11.085 -3.516 -4.584 139 HZ3 TRP 17 HZ3 TRP 17 -8.019 -1.695 -6.979 140 HH2 TRP 17 HH2 TRP 17 -9.074 -3.726 -6.023 141 H ALA 18 HN ALA 18 -7.828 3.799 -5.025 142 HA ALA 18 HA ALA 18 -8.747 6.308 -6.098 143 HB1 ALA 18 HB1 ALA 18 -7.579 7.825 -4.554 144 HB2 ALA 18 HB2 ALA 18 -7.164 6.458 -3.520 145 HB3 ALA 18 HB3 ALA 18 -8.851 6.929 -3.725 146 H ASN 19 HN ASN 19 -6.435 7.777 -6.072 147 HA ASN 19 HA ASN 19 -4.388 5.940 -7.291 148 HB2 ASN 19 HB2 ASN 19 -5.217 8.750 -8.067 149 HB3 ASN 19 HB1 ASN 19 -3.721 7.998 -8.631 150 HD21 ASN 19 HD21 ASN 19 -5.226 8.476 -10.721 151 HD22 ASN 19 HD22 ASN 19 -6.121 7.132 -11.240 152 H LEU 20 HN LEU 20 -2.209 6.360 -6.726 153 HA LEU 20 HA LEU 20 -1.752 8.523 -4.709 154 HB2 LEU 20 HB2 LEU 20 -2.119 6.289 -3.618 155 HB3 LEU 20 HB1 LEU 20 -0.701 5.696 -4.472 156 HG LEU 20 HG LEU 20 -0.265 8.246 -2.987 157 HD11 LEU 20 HD11 LEU 20 -1.599 7.324 -1.281 158 HD12 LEU 20 HD12 LEU 20 0.039 6.863 -0.832 159 HD13 LEU 20 HD13 LEU 20 -1.025 5.687 -1.590 160 HD21 LEU 20 HD21 LEU 20 1.462 6.709 -4.179 161 HD22 LEU 20 HD22 LEU 20 1.294 5.667 -2.773 162 HD23 LEU 20 HD23 LEU 20 1.878 7.320 -2.581 163 H LYS 21 HN LYS 21 0.043 9.667 -5.108 164 HA LYS 21 HA LYS 21 2.078 8.566 -7.018 165 HB2 LYS 21 HB2 LYS 21 0.756 10.544 -7.847 166 HB3 LYS 21 HB1 LYS 21 1.409 11.480 -6.504 167 HG2 LYS 21 HG2 LYS 21 3.729 10.838 -7.343 168 HG3 LYS 21 HG1 LYS 21 2.940 10.212 -8.788 169 HD2 LYS 21 HD2 LYS 21 2.613 13.044 -7.763 170 HD3 LYS 21 HD1 LYS 21 3.750 12.578 -9.025 171 HE2 LYS 21 HE2 LYS 21 1.890 13.276 -10.266 172 HE3 LYS 21 HE1 LYS 21 1.633 11.535 -10.184 173 HZ1 LYS 21 HZ1 LYS 21 -0.055 13.539 -9.284 174 HZ2 LYS 21 HZ2 LYS 21 0.556 12.781 -7.892 175 HZ3 LYS 21 HZ3 LYS 21 -0.243 11.866 -9.079 176 H ALA 22 HN ALA 22 4.038 8.319 -6.178 177 HA ALA 22 HA ALA 22 5.092 10.124 -4.130 178 HB1 ALA 22 HB1 ALA 22 4.337 7.300 -3.372 179 HB2 ALA 22 HB2 ALA 22 3.813 8.803 -2.613 180 HB3 ALA 22 HB3 ALA 22 5.486 8.270 -2.453 181 H LYS 23 HN LYS 23 7.235 9.378 -3.328 182 HA LYS 23 HA LYS 23 8.759 8.146 -5.593 183 HB2 LYS 23 HB2 LYS 23 9.257 10.531 -4.589 184 HB3 LYS 23 HB1 LYS 23 10.099 9.625 -3.340 185 HG2 LYS 23 HG2 LYS 23 11.515 8.551 -5.015 186 HG3 LYS 23 HG1 LYS 23 10.612 9.327 -6.319 187 HD2 LYS 23 HD2 LYS 23 11.290 11.538 -5.495 188 HD3 LYS 23 HD1 LYS 23 12.181 10.779 -4.175 189 HE2 LYS 23 HE2 LYS 23 13.628 9.633 -5.787 190 HE3 LYS 23 HE1 LYS 23 12.730 10.353 -7.125 191 HZ1 LYS 23 HZ1 LYS 23 14.462 11.689 -5.137 192 HZ2 LYS 23 HZ2 LYS 23 13.317 12.558 -6.045 193 HZ3 LYS 23 HZ3 LYS 23 14.575 11.726 -6.829 194 H VAL 24 HN VAL 24 10.475 6.626 -5.132 195 HA VAL 24 HA VAL 24 9.800 4.962 -2.756 196 HB VAL 24 HB VAL 24 11.831 3.941 -4.661 197 HG11 VAL 24 HG11 VAL 24 10.606 1.928 -4.452 198 HG12 VAL 24 HG12 VAL 24 9.145 2.767 -3.940 199 HG13 VAL 24 HG13 VAL 24 10.529 2.672 -2.854 200 HG21 VAL 24 HG21 VAL 24 10.041 3.478 -6.403 201 HG22 VAL 24 HG22 VAL 24 10.585 5.153 -6.308 202 HG23 VAL 24 HG23 VAL 24 9.046 4.684 -5.584 203 H ILE 25 HN ILE 25 10.955 5.373 -0.989 204 HA ILE 25 HA ILE 25 13.696 6.492 -1.184 205 HB ILE 25 HB ILE 25 13.371 6.493 1.406 206 HG12 ILE 25 HG12 ILE 25 11.255 4.920 0.949 207 HG13 ILE 25 HG11 ILE 25 11.289 6.049 2.294 208 HG21 ILE 25 HG21 ILE 25 11.845 8.548 1.178 209 HG22 ILE 25 HG22 ILE 25 11.831 8.203 -0.551 210 HG23 ILE 25 HG23 ILE 25 13.352 8.572 0.263 211 HD11 ILE 25 HD11 ILE 25 10.174 6.882 -0.385 212 HD12 ILE 25 HD12 ILE 25 9.877 7.585 1.201 213 HD13 ILE 25 HD13 ILE 25 9.200 6.018 0.792 214 H GLN 26 HN GLN 26 12.092 3.463 -0.500 215 HA GLN 26 HA GLN 26 14.748 2.185 -0.211 216 HB2 GLN 26 HB2 GLN 26 14.010 2.851 2.110 217 HB3 GLN 26 HB1 GLN 26 12.626 1.778 1.904 218 HG2 GLN 26 HG2 GLN 26 14.074 -0.140 1.605 219 HG3 GLN 26 HG1 GLN 26 15.507 0.891 1.608 220 HE21 GLN 26 HE21 GLN 26 12.616 0.488 3.756 221 HE22 GLN 26 HE22 GLN 26 13.517 0.464 5.194 222 H LEU 27 HN LEU 27 14.725 0.170 -1.108 223 HA LEU 27 HA LEU 27 12.081 -0.918 -1.998 224 HB2 LEU 27 HB2 LEU 27 14.858 -0.987 -3.149 225 HB3 LEU 27 HB1 LEU 27 13.733 -2.279 -3.562 226 HG LEU 27 HG LEU 27 13.722 -0.347 -5.176 227 HD11 LEU 27 HD11 LEU 27 10.992 -0.306 -3.947 228 HD12 LEU 27 HD12 LEU 27 11.628 -1.880 -4.406 229 HD13 LEU 27 HD13 LEU 27 11.473 -0.612 -5.614 230 HD21 LEU 27 HD21 LEU 27 14.025 1.323 -3.205 231 HD22 LEU 27 HD22 LEU 27 12.280 1.193 -3.030 232 HD23 LEU 27 HD23 LEU 27 12.965 1.791 -4.531 233 H TRP 28 HN TRP 28 11.554 -3.042 -1.568 234 HA TRP 28 HA TRP 28 13.515 -4.752 -0.156 235 HB2 TRP 28 HB2 TRP 28 10.945 -3.684 1.007 236 HB3 TRP 28 HB1 TRP 28 11.551 -5.263 1.509 237 HD1 TRP 28 HD1 TRP 28 11.854 -1.704 2.297 238 HE1 TRP 28 HE1 TRP 28 13.900 -1.265 3.800 239 HE3 TRP 28 HE3 TRP 28 14.279 -6.168 1.802 240 HZ2 TRP 28 HZ2 TRP 28 16.258 -2.627 4.673 241 HZ3 TRP 28 HZ3 TRP 28 16.423 -6.571 2.976 242 HH2 TRP 28 HH2 TRP 28 17.416 -4.808 4.410 243 H GLU 29 HN GLU 29 13.446 -6.631 -1.172 244 HA GLU 29 HA GLU 29 11.081 -7.393 -2.771 245 HB2 GLU 29 HB2 GLU 29 12.579 -9.332 -3.443 246 HB3 GLU 29 HB1 GLU 29 13.178 -7.735 -3.881 247 HG2 GLU 29 HG2 GLU 29 13.986 -9.025 -1.273 248 HG3 GLU 29 HG1 GLU 29 14.834 -9.407 -2.768 249 H ASN 30 HN ASN 30 9.812 -9.226 -2.349 250 HA ASN 30 HA ASN 30 10.463 -10.885 0.034 251 HB2 ASN 30 HB2 ASN 30 9.045 -8.997 0.837 252 HB3 ASN 30 HB1 ASN 30 7.802 -9.468 -0.322 253 HD21 ASN 30 HD21 ASN 30 9.270 -12.311 0.650 254 HD22 ASN 30 HD22 ASN 30 8.223 -12.736 1.917 255 H THR 31 HN THR 31 10.073 -12.990 -0.473 256 HA THR 31 HA THR 31 7.878 -13.672 -2.357 257 HB THR 31 HB THR 31 9.504 -13.727 -4.013 258 HG1 THR 31 HG1 THR 31 10.218 -15.840 -4.228 259 HG21 THR 31 HG21 THR 31 11.331 -12.850 -2.712 260 HG22 THR 31 HG22 THR 31 11.907 -14.313 -3.512 261 HG23 THR 31 HG23 THR 31 11.474 -14.353 -1.803 262 H HIS 32 HN HIS 32 8.780 -14.014 0.571 263 HA HIS 32 HA HIS 32 9.265 -16.830 0.967 264 HB2 HIS 32 HB2 HIS 32 8.143 -14.698 2.806 265 HB3 HIS 32 HB1 HIS 32 8.592 -16.323 3.328 266 HD1 HIS 32 HD1 HIS 32 11.214 -16.974 2.587 267 HD2 HIS 32 HD2 HIS 32 10.264 -12.932 2.971 268 HE1 HIS 32 HE1 HIS 32 13.412 -15.742 2.830 269 H GLU 33 HN GLU 33 6.349 -14.814 1.040 270 HA GLU 33 HA GLU 33 4.674 -17.314 0.928 271 HB2 GLU 33 HB2 GLU 33 4.035 -14.624 2.178 272 HB3 GLU 33 HB1 GLU 33 2.882 -15.950 2.014 273 HG2 GLU 33 HG2 GLU 33 4.304 -17.401 3.374 274 HG3 GLU 33 HG1 GLU 33 5.519 -16.127 3.495 275 H SER 34 HN SER 34 2.442 -15.122 0.558 276 HA SER 34 HA SER 34 2.507 -15.253 -2.377 277 HB2 SER 34 HB2 SER 34 0.251 -14.280 -2.227 278 HB3 SER 34 HB1 SER 34 0.396 -15.656 -1.137 279 HG SER 34 HG SER 34 -0.566 -13.738 -0.200 280 H ILE 35 HN ILE 35 3.826 -13.230 -0.099 281 HA ILE 35 HA ILE 35 3.203 -10.655 -1.252 282 HB ILE 35 HB ILE 35 5.620 -11.407 0.413 283 HG12 ILE 35 HG12 ILE 35 2.881 -10.500 1.362 284 HG13 ILE 35 HG11 ILE 35 3.455 -12.165 1.445 285 HG21 ILE 35 HG21 ILE 35 5.680 -9.092 0.997 286 HG22 ILE 35 HG22 ILE 35 4.085 -8.808 0.307 287 HG23 ILE 35 HG23 ILE 35 5.456 -9.127 -0.751 288 HD11 ILE 35 HD11 ILE 35 5.250 -11.548 2.935 289 HD12 ILE 35 HD12 ILE 35 3.756 -10.878 3.585 290 HD13 ILE 35 HD13 ILE 35 4.893 -9.832 2.739 291 H SER 36 HN SER 36 4.074 -9.751 -3.025 292 HA SER 36 HA SER 36 6.260 -11.167 -4.438 293 HB2 SER 36 HB2 SER 36 4.050 -10.241 -5.490 294 HB3 SER 36 HB1 SER 36 4.868 -8.686 -5.442 295 HG SER 36 HG SER 36 6.657 -10.215 -6.399 296 H GLN 37 HN GLN 37 5.511 -7.755 -3.601 297 HA GLN 37 HA GLN 37 8.360 -7.350 -2.883 298 HB2 GLN 37 HB2 GLN 37 8.154 -6.902 -5.339 299 HB3 GLN 37 HB1 GLN 37 6.968 -5.650 -4.967 300 HG2 GLN 37 HG2 GLN 37 8.624 -4.451 -3.615 301 HG3 GLN 37 HG1 GLN 37 9.817 -5.711 -3.938 302 HE21 GLN 37 HE21 GLN 37 10.197 -2.958 -4.722 303 HE22 GLN 37 HE22 GLN 37 10.232 -2.902 -6.417 304 H VAL 38 HN VAL 38 8.684 -5.506 -1.580 305 HA VAL 38 HA VAL 38 6.313 -3.869 -0.853 306 HB VAL 38 HB VAL 38 6.221 -5.541 0.858 307 HG11 VAL 38 HG11 VAL 38 8.347 -6.058 2.193 308 HG12 VAL 38 HG12 VAL 38 9.231 -5.261 0.892 309 HG13 VAL 38 HG13 VAL 38 8.279 -6.705 0.553 310 HG21 VAL 38 HG21 VAL 38 6.560 -4.260 2.823 311 HG22 VAL 38 HG22 VAL 38 6.356 -3.039 1.567 312 HG23 VAL 38 HG23 VAL 38 7.969 -3.439 2.151 313 H GLY 39 HN GLY 39 6.957 -1.846 0.173 314 HA2 GLY 39 HA2 GLY 39 9.742 -1.195 0.565 315 HA3 GLY 39 HA1 GLY 39 9.181 -0.585 -0.992 316 H LEU 40 HN LEU 40 9.795 1.465 0.236 317 HA LEU 40 HA LEU 40 7.499 2.468 1.883 318 HB2 LEU 40 HB2 LEU 40 10.455 2.968 1.951 319 HB3 LEU 40 HB1 LEU 40 9.393 4.284 2.434 320 HG LEU 40 HG LEU 40 10.180 2.793 4.314 321 HD11 LEU 40 HD11 LEU 40 7.184 2.590 4.099 322 HD12 LEU 40 HD12 LEU 40 7.956 4.168 4.205 323 HD13 LEU 40 HD13 LEU 40 8.174 2.990 5.493 324 HD21 LEU 40 HD21 LEU 40 8.198 0.761 3.295 325 HD22 LEU 40 HD22 LEU 40 9.474 0.557 4.490 326 HD23 LEU 40 HD23 LEU 40 9.885 0.704 2.782 327 H LEU 41 HN LEU 41 6.586 4.439 1.349 328 HA LEU 41 HA LEU 41 7.385 5.578 -1.299 329 HB2 LEU 41 HB2 LEU 41 4.691 5.214 0.027 330 HB3 LEU 41 HB1 LEU 41 4.917 6.319 -1.324 331 HG LEU 41 HG LEU 41 5.891 3.476 -1.549 332 HD11 LEU 41 HD11 LEU 41 3.779 2.694 -2.331 333 HD12 LEU 41 HD12 LEU 41 3.100 4.317 -2.332 334 HD13 LEU 41 HD13 LEU 41 3.447 3.513 -0.808 335 HD21 LEU 41 HD21 LEU 41 4.623 5.023 -3.788 336 HD22 LEU 41 HD22 LEU 41 5.978 3.897 -3.826 337 HD23 LEU 41 HD23 LEU 41 6.216 5.541 -3.246 338 H GLY 42 HN GLY 42 8.123 7.586 -1.182 339 HA2 GLY 42 HA2 GLY 42 7.775 9.143 1.313 340 HA3 GLY 42 HA1 GLY 42 8.945 9.476 0.041 341 H ASP 43 HN ASP 43 5.707 10.059 1.152 342 HA ASP 43 HA ASP 43 5.060 11.614 -1.308 343 HB2 ASP 43 HB2 ASP 43 3.351 10.050 -0.395 344 HB3 ASP 43 HB1 ASP 43 3.317 10.996 1.094 345 H GLU 44 HN GLU 44 4.190 13.807 -0.993 346 HA GLU 44 HA GLU 44 5.907 15.439 0.625 347 HB2 GLU 44 HB2 GLU 44 3.318 16.036 -0.828 348 HB3 GLU 44 HB1 GLU 44 4.333 17.270 -0.079 349 HG2 GLU 44 HG2 GLU 44 6.208 16.659 -1.511 350 HG3 GLU 44 HG1 GLU 44 5.280 15.328 -2.204 351 H THR 45 HN THR 45 2.945 13.794 1.308 352 HA THR 45 HA THR 45 2.333 15.555 3.621 353 HB THR 45 HB THR 45 0.386 13.924 3.879 354 HG1 THR 45 HG1 THR 45 0.032 12.695 1.916 355 HG21 THR 45 HG21 THR 45 -0.893 14.997 2.197 356 HG22 THR 45 HG22 THR 45 0.497 15.161 1.126 357 HG23 THR 45 HG23 THR 45 0.377 16.150 2.580 358 H GLY 46 HN GLY 46 4.317 12.929 2.972 359 HA2 GLY 46 HA2 GLY 46 5.486 12.487 5.322 360 HA3 GLY 46 HA1 GLY 46 3.947 11.686 5.645 361 H ILE 47 HN ILE 47 4.728 9.593 5.743 362 HA ILE 47 HA ILE 47 5.668 8.431 3.156 363 HB ILE 47 HB ILE 47 7.310 7.052 4.323 364 HG12 ILE 47 HG12 ILE 47 6.385 8.540 6.807 365 HG13 ILE 47 HG11 ILE 47 6.159 6.820 6.485 366 HG21 ILE 47 HG21 ILE 47 8.929 8.736 4.733 367 HG22 ILE 47 HG22 ILE 47 7.715 9.882 5.303 368 HG23 ILE 47 HG23 ILE 47 7.808 9.476 3.594 369 HD11 ILE 47 HD11 ILE 47 8.680 6.629 6.295 370 HD12 ILE 47 HD12 ILE 47 8.077 6.996 7.912 371 HD13 ILE 47 HD13 ILE 47 8.773 8.277 6.919 372 H ILE 48 HN ILE 48 5.349 6.044 3.087 373 HA ILE 48 HA ILE 48 3.609 4.825 5.075 374 HB ILE 48 HB ILE 48 2.007 6.257 3.815 375 HG12 ILE 48 HG12 ILE 48 1.598 3.315 3.221 376 HG13 ILE 48 HG11 ILE 48 1.421 4.006 4.835 377 HG21 ILE 48 HG21 ILE 48 2.717 4.464 1.471 378 HG22 ILE 48 HG22 ILE 48 3.228 6.143 1.634 379 HG23 ILE 48 HG23 ILE 48 1.516 5.749 1.485 380 HD11 ILE 48 HD11 ILE 48 -0.076 5.050 2.420 381 HD12 ILE 48 HD12 ILE 48 -0.364 5.444 4.114 382 HD13 ILE 48 HD13 ILE 48 -0.735 3.829 3.510 383 H LYS 49 HN LYS 49 3.354 2.564 4.705 384 HA LYS 49 HA LYS 49 5.421 1.410 2.933 385 HB2 LYS 49 HB2 LYS 49 3.556 0.217 5.002 386 HB3 LYS 49 HB1 LYS 49 4.712 -0.731 4.066 387 HG2 LYS 49 HG2 LYS 49 6.565 0.549 4.954 388 HG3 LYS 49 HG1 LYS 49 5.465 1.642 5.792 389 HD2 LYS 49 HD2 LYS 49 4.622 -0.290 7.118 390 HD3 LYS 49 HD1 LYS 49 5.811 -1.322 6.320 391 HE2 LYS 49 HE2 LYS 49 6.467 1.144 7.959 392 HE3 LYS 49 HE1 LYS 49 6.630 -0.520 8.522 393 HZ1 LYS 49 HZ1 LYS 49 7.936 -0.450 6.112 394 HZ2 LYS 49 HZ2 LYS 49 8.654 -0.477 7.652 395 HZ3 LYS 49 HZ3 LYS 49 8.378 1.003 6.868 396 H PHE 50 HN PHE 50 4.831 -0.437 1.398 397 HA PHE 50 HA PHE 50 1.967 -0.610 0.724 398 HB2 PHE 50 HB2 PHE 50 2.264 -0.003 -1.574 399 HB3 PHE 50 HB1 PHE 50 3.003 1.281 -0.633 400 HD1 PHE 50 HD2 PHE 50 5.494 1.460 -0.472 401 HD2 PHE 50 HD1 PHE 50 3.579 -1.492 -2.933 402 HE1 PHE 50 HE2 PHE 50 7.629 1.082 -1.688 403 HE2 PHE 50 HE1 PHE 50 5.710 -1.876 -4.137 404 HZ PHE 50 HZ PHE 50 7.734 -0.594 -3.516 405 H THR 51 HN THR 51 1.563 -2.533 -0.559 406 HA THR 51 HA THR 51 3.874 -4.417 -0.809 407 HB THR 51 HB THR 51 1.150 -5.021 0.373 408 HG1 THR 51 HG1 THR 51 3.764 -4.781 1.398 409 HG21 THR 51 HG21 THR 51 3.446 -6.753 -0.508 410 HG22 THR 51 HG22 THR 51 1.718 -6.982 -0.775 411 HG23 THR 51 HG23 THR 51 2.406 -7.264 0.823 412 H ILE 52 HN ILE 52 3.930 -5.360 -2.758 413 HA ILE 52 HA ILE 52 1.555 -5.099 -4.565 414 HB ILE 52 HB ILE 52 4.467 -5.649 -5.216 415 HG12 ILE 52 HG12 ILE 52 2.797 -3.174 -5.740 416 HG13 ILE 52 HG11 ILE 52 3.864 -3.340 -4.346 417 HG21 ILE 52 HG21 ILE 52 2.003 -5.242 -6.932 418 HG22 ILE 52 HG22 ILE 52 3.051 -6.659 -6.887 419 HG23 ILE 52 HG23 ILE 52 3.648 -5.142 -7.560 420 HD11 ILE 52 HD11 ILE 52 5.799 -3.570 -5.760 421 HD12 ILE 52 HD12 ILE 52 4.901 -2.161 -6.328 422 HD13 ILE 52 HD13 ILE 52 4.795 -3.688 -7.205 423 H TRP 53 HN TRP 53 0.452 -6.915 -5.140 424 HA TRP 53 HA TRP 53 1.391 -9.510 -4.122 425 HB2 TRP 53 HB2 TRP 53 -1.141 -8.685 -5.568 426 HB3 TRP 53 HB1 TRP 53 -0.842 -10.291 -4.901 427 HD1 TRP 53 HD1 TRP 53 -2.313 -7.072 -4.002 428 HE1 TRP 53 HE1 TRP 53 -2.627 -6.872 -1.450 429 HE3 TRP 53 HE3 TRP 53 0.563 -10.990 -2.456 430 HZ2 TRP 53 HZ2 TRP 53 -1.762 -8.198 0.934 431 HZ3 TRP 53 HZ3 TRP 53 0.810 -11.496 -0.044 432 HH2 TRP 53 HH2 TRP 53 -0.349 -10.107 1.652 433 H LYS 54 HN LYS 54 1.885 -11.291 -5.415 434 HA LYS 54 HA LYS 54 3.173 -10.869 -7.900 435 HB2 LYS 54 HB2 LYS 54 1.921 -13.384 -6.765 436 HB3 LYS 54 HB1 LYS 54 3.023 -13.356 -8.141 437 HG2 LYS 54 HG2 LYS 54 4.724 -12.241 -6.656 438 HG3 LYS 54 HG1 LYS 54 3.634 -12.509 -5.297 439 HD2 LYS 54 HD2 LYS 54 4.664 -14.720 -7.094 440 HD3 LYS 54 HD1 LYS 54 5.396 -14.289 -5.550 441 HE2 LYS 54 HE2 LYS 54 3.032 -14.628 -4.554 442 HE3 LYS 54 HE1 LYS 54 2.659 -15.454 -6.065 443 HZ1 LYS 54 HZ1 LYS 54 3.490 -17.229 -5.030 444 HZ2 LYS 54 HZ2 LYS 54 4.313 -16.309 -3.863 445 HZ3 LYS 54 HZ3 LYS 54 5.006 -16.560 -5.393 446 H ASN 55 HN ASN 55 -0.152 -11.853 -7.158 447 HA ASN 55 HA ASN 55 -0.976 -12.523 -9.790 448 HB2 ASN 55 HB2 ASN 55 -3.261 -12.094 -8.975 449 HB3 ASN 55 HB1 ASN 55 -2.327 -12.978 -7.768 450 HD21 ASN 55 HD21 ASN 55 -3.963 -11.996 -6.197 451 HD22 ASN 55 HD22 ASN 55 -3.677 -10.423 -5.625 452 H ALA 56 HN ALA 56 0.165 -9.568 -8.691 453 HA ALA 56 HA ALA 56 -1.586 -7.888 -10.363 454 HB1 ALA 56 HB1 ALA 56 -0.574 -7.113 -8.175 455 HB2 ALA 56 HB2 ALA 56 -0.268 -6.040 -9.540 456 HB3 ALA 56 HB3 ALA 56 0.998 -7.129 -8.973 457 H GLU 57 HN GLU 57 1.524 -9.482 -10.532 458 HA GLU 57 HA GLU 57 3.086 -9.675 -12.256 459 HB2 GLU 57 HB2 GLU 57 0.587 -9.064 -13.856 460 HB3 GLU 57 HB1 GLU 57 2.120 -9.546 -14.581 461 HG2 GLU 57 HG2 GLU 57 2.102 -11.637 -13.321 462 HG3 GLU 57 HG1 GLU 57 0.620 -11.153 -12.495 463 H LEU 58 HN LEU 58 3.425 -7.352 -11.000 464 HA LEU 58 HA LEU 58 3.626 -5.261 -13.134 465 HB2 LEU 58 HB2 LEU 58 3.743 -4.927 -10.128 466 HB3 LEU 58 HB1 LEU 58 3.760 -3.625 -11.317 467 HG LEU 58 HG LEU 58 1.519 -5.645 -11.032 468 HD11 LEU 58 HD11 LEU 58 1.832 -2.831 -9.966 469 HD12 LEU 58 HD12 LEU 58 1.537 -4.306 -9.043 470 HD13 LEU 58 HD13 LEU 58 0.276 -3.652 -10.088 471 HD21 LEU 58 HD21 LEU 58 0.339 -3.701 -12.346 472 HD22 LEU 58 HD22 LEU 58 1.379 -4.808 -13.233 473 HD23 LEU 58 HD23 LEU 58 1.980 -3.216 -12.769 474 HA PRO 59 HA PRO 59 8.044 -5.763 -13.053 475 HB2 PRO 59 HB2 PRO 59 8.838 -3.249 -13.862 476 HB3 PRO 59 HB1 PRO 59 8.172 -4.474 -14.959 477 HG2 PRO 59 HG2 PRO 59 6.824 -2.126 -13.706 478 HG3 PRO 59 HG1 PRO 59 6.651 -2.787 -15.343 479 HD2 PRO 59 HD2 PRO 59 4.818 -3.258 -13.365 480 HD3 PRO 59 HD1 PRO 59 5.143 -4.419 -14.673 481 H LEU 60 HN LEU 60 10.035 -4.900 -12.015 482 HA LEU 60 HA LEU 60 9.540 -4.161 -9.262 483 HB2 LEU 60 HB2 LEU 60 12.164 -4.202 -10.775 484 HB3 LEU 60 HB1 LEU 60 11.954 -4.281 -9.026 485 HG LEU 60 HG LEU 60 10.930 -6.339 -11.006 486 HD11 LEU 60 HD11 LEU 60 13.446 -6.207 -10.646 487 HD12 LEU 60 HD12 LEU 60 12.704 -7.757 -10.248 488 HD13 LEU 60 HD13 LEU 60 13.142 -6.634 -8.962 489 HD21 LEU 60 HD21 LEU 60 10.705 -7.633 -8.732 490 HD22 LEU 60 HD22 LEU 60 9.460 -6.469 -9.173 491 HD23 LEU 60 HD23 LEU 60 10.713 -6.024 -8.012 492 H LEU 61 HN LEU 61 9.844 -2.214 -8.263 493 HA LEU 61 HA LEU 61 9.859 0.182 -9.964 494 HB2 LEU 61 HB2 LEU 61 9.480 -0.344 -7.017 495 HB3 LEU 61 HB1 LEU 61 9.680 1.301 -7.624 496 HG LEU 61 HG LEU 61 7.776 0.971 -9.155 497 HD11 LEU 61 HD11 LEU 61 6.349 -1.132 -8.643 498 HD12 LEU 61 HD12 LEU 61 7.825 -1.794 -7.939 499 HD13 LEU 61 HD13 LEU 61 7.786 -1.343 -9.643 500 HD21 LEU 61 HD21 LEU 61 7.407 1.846 -6.858 501 HD22 LEU 61 HD22 LEU 61 7.132 0.198 -6.292 502 HD23 LEU 61 HD23 LEU 61 6.016 0.934 -7.443 503 H GLU 62 HN GLU 62 11.479 1.769 -9.969 504 HA GLU 62 HA GLU 62 14.147 0.842 -9.065 505 HB2 GLU 62 HB2 GLU 62 13.296 3.188 -10.786 506 HB3 GLU 62 HB1 GLU 62 14.968 2.741 -10.447 507 HG2 GLU 62 HG2 GLU 62 12.938 0.907 -11.755 508 HG3 GLU 62 HG1 GLU 62 14.148 1.841 -12.635 509 H GLN 63 HN GLN 63 15.291 1.820 -7.471 510 HA GLN 63 HA GLN 63 13.885 3.580 -5.643 511 HB2 GLN 63 HB2 GLN 63 15.506 1.829 -4.909 512 HB3 GLN 63 HB1 GLN 63 16.802 2.788 -5.621 513 HG2 GLN 63 HG2 GLN 63 16.297 4.658 -4.143 514 HG3 GLN 63 HG1 GLN 63 14.904 3.799 -3.485 515 HE21 GLN 63 HE21 GLN 63 17.130 4.686 -1.855 516 HE22 GLN 63 HE22 GLN 63 17.898 3.304 -1.239 517 H GLY 64 HN GLY 64 14.097 5.758 -5.350 518 HA2 GLY 64 HA2 GLY 64 15.196 7.881 -5.524 519 HA3 GLY 64 HA1 GLY 64 16.273 7.211 -6.749 520 H GLU 65 HN GLU 65 13.412 6.062 -7.720 521 HA GLU 65 HA GLU 65 12.911 8.405 -9.504 522 HB2 GLU 65 HB2 GLU 65 12.312 5.457 -9.825 523 HB3 GLU 65 HB1 GLU 65 11.777 6.699 -10.959 524 HG2 GLU 65 HG2 GLU 65 14.130 7.386 -11.305 525 HG3 GLU 65 HG1 GLU 65 14.655 6.117 -10.198 526 H SER 66 HN SER 66 10.702 8.777 -10.139 527 HA SER 66 HA SER 66 8.811 8.475 -7.850 528 HB2 SER 66 HB2 SER 66 8.741 10.353 -10.227 529 HB3 SER 66 HB1 SER 66 7.546 10.309 -8.933 530 HG SER 66 HG SER 66 8.899 11.721 -8.105 531 H TYR 67 HN TYR 67 6.808 7.523 -8.124 532 HA TYR 67 HA TYR 67 6.138 6.434 -10.824 533 HB2 TYR 67 HB2 TYR 67 6.237 4.922 -8.206 534 HB3 TYR 67 HB1 TYR 67 5.371 4.334 -9.625 535 HD1 TYR 67 HD2 TYR 67 6.624 3.920 -11.765 536 HD2 TYR 67 HD1 TYR 67 8.619 4.780 -8.060 537 HE1 TYR 67 HE2 TYR 67 8.741 3.027 -12.699 538 HE2 TYR 67 HE1 TYR 67 10.735 3.887 -8.995 539 HH TYR 67 HH TYR 67 10.837 2.394 -12.212 540 H LEU 68 HN LEU 68 3.973 6.067 -11.158 541 HA LEU 68 HA LEU 68 2.108 7.514 -9.304 542 HB2 LEU 68 HB2 LEU 68 2.211 8.522 -11.527 543 HB3 LEU 68 HB1 LEU 68 1.889 6.974 -12.279 544 HG LEU 68 HG LEU 68 -0.331 6.909 -11.242 545 HD11 LEU 68 HD11 LEU 68 -1.084 9.141 -10.142 546 HD12 LEU 68 HD12 LEU 68 0.643 9.425 -9.906 547 HD13 LEU 68 HD13 LEU 68 -0.131 8.016 -9.179 548 HD21 LEU 68 HD21 LEU 68 -1.360 8.693 -12.521 549 HD22 LEU 68 HD22 LEU 68 0.029 8.092 -13.426 550 HD23 LEU 68 HD23 LEU 68 0.149 9.607 -12.531 551 H LEU 69 HN LEU 69 0.492 6.319 -8.363 552 HA LEU 69 HA LEU 69 0.165 3.478 -9.266 553 HB2 LEU 69 HB2 LEU 69 -0.515 4.753 -6.602 554 HB3 LEU 69 HB1 LEU 69 -0.574 3.038 -6.989 555 HG LEU 69 HG LEU 69 1.920 4.755 -7.043 556 HD11 LEU 69 HD11 LEU 69 0.882 2.708 -5.068 557 HD12 LEU 69 HD12 LEU 69 1.267 4.402 -4.760 558 HD13 LEU 69 HD13 LEU 69 2.560 3.251 -5.102 559 HD21 LEU 69 HD21 LEU 69 2.934 2.328 -7.135 560 HD22 LEU 69 HD22 LEU 69 2.330 3.059 -8.617 561 HD23 LEU 69 HD23 LEU 69 1.344 1.878 -7.750 562 H ARG 70 HN ARG 70 -1.593 3.341 -10.569 563 HA ARG 70 HA ARG 70 -3.993 5.014 -9.915 564 HB2 ARG 70 HB2 ARG 70 -3.325 3.590 -12.499 565 HB3 ARG 70 HB1 ARG 70 -4.648 4.723 -12.233 566 HG2 ARG 70 HG2 ARG 70 -2.916 6.460 -11.624 567 HG3 ARG 70 HG1 ARG 70 -1.686 5.313 -12.161 568 HD2 ARG 70 HD2 ARG 70 -3.964 6.320 -13.882 569 HD3 ARG 70 HD1 ARG 70 -2.308 6.919 -13.953 570 HE ARG 70 HE ARG 70 -2.182 4.114 -14.271 571 HH11 ARG 70 HH21 ARG 70 -3.479 6.906 -15.835 572 HH12 ARG 70 HH22 ARG 70 -3.365 6.228 -17.424 573 HH21 ARG 70 HH11 ARG 70 -2.032 3.218 -16.336 574 HH22 ARG 70 HH12 ARG 70 -2.547 4.142 -17.707 575 H SER 71 HN SER 71 -6.026 4.041 -9.838 576 HA SER 71 HA SER 71 -7.540 2.379 -9.242 577 HB2 SER 71 HB2 SER 71 -7.177 0.193 -10.643 578 HB3 SER 71 HB1 SER 71 -7.609 1.685 -11.470 579 HG SER 71 HG SER 71 -5.782 1.555 -12.471 580 H VAL 72 HN VAL 72 -5.889 2.558 -7.207 581 HA VAL 72 HA VAL 72 -5.050 -0.254 -6.574 582 HB VAL 72 HB VAL 72 -3.480 0.783 -4.922 583 HG11 VAL 72 HG11 VAL 72 -2.931 0.160 -7.387 584 HG12 VAL 72 HG12 VAL 72 -1.794 1.172 -6.515 585 HG13 VAL 72 HG13 VAL 72 -2.914 1.899 -7.671 586 HG21 VAL 72 HG21 VAL 72 -2.981 3.190 -5.155 587 HG22 VAL 72 HG22 VAL 72 -4.660 2.941 -4.677 588 HG23 VAL 72 HG23 VAL 72 -4.270 3.345 -6.350 589 H VAL 73 HN VAL 73 -5.174 -0.703 -4.199 590 HA VAL 73 HA VAL 73 -7.560 0.633 -2.960 591 HB VAL 73 HB VAL 73 -8.291 -1.502 -3.813 592 HG11 VAL 73 HG11 VAL 73 -7.169 -3.604 -3.176 593 HG12 VAL 73 HG12 VAL 73 -5.930 -2.686 -2.319 594 HG13 VAL 73 HG13 VAL 73 -6.077 -2.548 -4.073 595 HG21 VAL 73 HG21 VAL 73 -7.714 -1.938 -0.875 596 HG22 VAL 73 HG22 VAL 73 -9.110 -2.492 -1.800 597 HG23 VAL 73 HG23 VAL 73 -8.914 -0.777 -1.443 598 H VAL 74 HN VAL 74 -7.582 0.688 -0.697 599 HA VAL 74 HA VAL 74 -4.873 0.700 0.516 600 HB VAL 74 HB VAL 74 -7.533 1.633 1.637 601 HG11 VAL 74 HG11 VAL 74 -5.868 1.103 3.382 602 HG12 VAL 74 HG12 VAL 74 -6.108 2.845 3.262 603 HG13 VAL 74 HG13 VAL 74 -4.677 2.101 2.551 604 HG21 VAL 74 HG21 VAL 74 -7.000 2.990 -0.259 605 HG22 VAL 74 HG22 VAL 74 -5.289 3.033 0.165 606 HG23 VAL 74 HG23 VAL 74 -6.464 3.907 1.148 607 H GLY 75 HN GLY 75 -4.196 -0.820 1.989 608 HA2 GLY 75 HA2 GLY 75 -6.131 -2.966 2.736 609 HA3 GLY 75 HA1 GLY 75 -4.379 -3.127 2.705 610 H GLU 76 HN GLU 76 -6.344 -3.578 4.923 611 HA GLU 76 HA GLU 76 -5.636 -1.471 6.878 612 HB2 GLU 76 HB2 GLU 76 -7.929 -2.458 6.817 613 HB3 GLU 76 HB1 GLU 76 -7.235 -4.027 7.234 614 HG2 GLU 76 HG2 GLU 76 -6.369 -3.116 9.334 615 HG3 GLU 76 HG1 GLU 76 -6.985 -1.517 8.915 616 H TYR 77 HN TYR 77 -3.471 -1.713 7.422 617 HA TYR 77 HA TYR 77 -2.471 -4.438 8.093 618 HB2 TYR 77 HB2 TYR 77 -1.228 -2.716 6.590 619 HB3 TYR 77 HB1 TYR 77 -0.839 -1.893 8.098 620 HD1 TYR 77 HD1 TYR 77 -0.866 -5.385 6.710 621 HD2 TYR 77 HD2 TYR 77 1.183 -2.479 9.123 622 HE1 TYR 77 HE1 TYR 77 0.966 -7.005 7.106 623 HE2 TYR 77 HE2 TYR 77 3.016 -4.103 9.516 624 HH TYR 77 HH TYR 77 2.773 -7.445 8.425 625 H ASN 78 HN ASN 78 -3.196 -4.909 10.122 626 HA ASN 78 HA ASN 78 -3.663 -4.636 12.415 627 HB2 ASN 78 HB2 ASN 78 -1.584 -3.977 13.682 628 HB3 ASN 78 HB1 ASN 78 -1.356 -5.281 12.518 629 HD21 ASN 78 HD21 ASN 78 0.360 -4.997 11.093 630 HD22 ASN 78 HD22 ASN 78 1.094 -3.508 10.738 631 H ASP 79 HN ASP 79 -1.664 -2.159 13.339 632 HA ASP 79 HA ASP 79 -3.964 -0.329 13.672 633 HB2 ASP 79 HB2 ASP 79 -2.483 -0.787 15.595 634 HB3 ASP 79 HB1 ASP 79 -1.113 -0.146 14.688 635 H ARG 80 HN ARG 80 -1.205 -0.696 11.618 636 HA ARG 80 HA ARG 80 -1.272 2.176 10.824 637 HB2 ARG 80 HB2 ARG 80 0.930 1.123 11.282 638 HB3 ARG 80 HB1 ARG 80 0.632 -0.024 9.974 639 HG2 ARG 80 HG2 ARG 80 0.517 1.783 8.348 640 HG3 ARG 80 HG1 ARG 80 0.658 2.988 9.627 641 HD2 ARG 80 HD2 ARG 80 2.757 0.891 9.015 642 HD3 ARG 80 HD1 ARG 80 2.819 2.557 8.440 643 HE ARG 80 HE ARG 80 3.297 1.660 11.199 644 HH11 ARG 80 HH21 ARG 80 2.568 4.235 9.013 645 HH12 ARG 80 HH22 ARG 80 3.112 5.474 10.092 646 HH21 ARG 80 HH11 ARG 80 4.005 3.268 12.612 647 HH22 ARG 80 HH12 ARG 80 3.923 4.929 12.126 648 H PHE 81 HN PHE 81 -1.493 2.754 8.593 649 HA PHE 81 HA PHE 81 -3.285 0.917 7.098 650 HB2 PHE 81 HB2 PHE 81 -2.533 3.832 6.732 651 HB3 PHE 81 HB1 PHE 81 -3.601 2.951 5.638 652 HD1 PHE 81 HD2 PHE 81 -5.704 1.882 6.570 653 HD2 PHE 81 HD1 PHE 81 -3.342 4.690 8.804 654 HE1 PHE 81 HE2 PHE 81 -7.615 2.274 8.100 655 HE2 PHE 81 HE1 PHE 81 -5.255 5.080 10.335 656 HZ PHE 81 HZ PHE 81 -7.391 3.872 9.981 657 H GLN 82 HN GLN 82 -2.798 0.326 4.893 658 HA GLN 82 HA GLN 82 -0.073 0.961 3.885 659 HB2 GLN 82 HB2 GLN 82 0.126 -1.135 5.229 660 HB3 GLN 82 HB1 GLN 82 -1.107 -1.878 4.211 661 HG2 GLN 82 HG2 GLN 82 0.340 -1.497 2.223 662 HG3 GLN 82 HG1 GLN 82 1.580 -0.824 3.280 663 HE21 GLN 82 HE21 GLN 82 3.129 -2.325 3.895 664 HE22 GLN 82 HE22 GLN 82 2.877 -4.000 4.012 665 H VAL 83 HN VAL 83 0.095 0.655 1.593 666 HA VAL 83 HA VAL 83 -2.558 0.516 0.215 667 HB VAL 83 HB VAL 83 0.094 1.377 -0.963 668 HG11 VAL 83 HG11 VAL 83 -1.267 2.412 -2.646 669 HG12 VAL 83 HG12 VAL 83 -2.739 2.132 -1.714 670 HG13 VAL 83 HG13 VAL 83 -1.881 0.771 -2.439 671 HG21 VAL 83 HG21 VAL 83 -0.422 2.763 1.023 672 HG22 VAL 83 HG22 VAL 83 -2.028 3.087 0.373 673 HG23 VAL 83 HG23 VAL 83 -0.598 3.689 -0.464 674 H GLN 84 HN GLN 84 -3.037 -1.381 -0.766 675 HA GLN 84 HA GLN 84 -0.805 -3.240 -1.499 676 HB2 GLN 84 HB2 GLN 84 -3.735 -3.726 -0.908 677 HB3 GLN 84 HB1 GLN 84 -2.652 -4.965 -1.546 678 HG2 GLN 84 HG2 GLN 84 -1.166 -4.667 0.404 679 HG3 GLN 84 HG1 GLN 84 -2.263 -3.446 1.050 680 HE21 GLN 84 HE21 GLN 84 -3.221 -4.491 2.827 681 HE22 GLN 84 HE22 GLN 84 -4.007 -5.992 2.740 682 H VAL 85 HN VAL 85 -0.424 -3.553 -3.617 683 HA VAL 85 HA VAL 85 -2.336 -2.434 -5.603 684 HB VAL 85 HB VAL 85 0.490 -3.477 -5.964 685 HG11 VAL 85 HG11 VAL 85 -0.796 -3.596 -8.021 686 HG12 VAL 85 HG12 VAL 85 0.303 -2.221 -8.129 687 HG13 VAL 85 HG13 VAL 85 -1.405 -1.960 -7.780 688 HG21 VAL 85 HG21 VAL 85 0.572 -1.508 -4.587 689 HG22 VAL 85 HG22 VAL 85 -0.649 -0.697 -5.568 690 HG23 VAL 85 HG23 VAL 85 0.962 -0.984 -6.225 691 H ASN 86 HN ASN 86 -3.507 -3.773 -6.944 692 HA ASN 86 HA ASN 86 -2.797 -6.682 -7.019 693 HB2 ASN 86 HB2 ASN 86 -5.626 -5.618 -6.825 694 HB3 ASN 86 HB1 ASN 86 -5.096 -7.295 -6.704 695 HD21 ASN 86 HD21 ASN 86 -4.546 -4.127 -5.050 696 HD22 ASN 86 HD22 ASN 86 -4.424 -4.800 -3.497 697 H LYS 87 HN LYS 87 -4.689 -7.581 -8.685 698 HA LYS 87 HA LYS 87 -3.844 -6.856 -11.268 699 HB2 LYS 87 HB2 LYS 87 -5.273 -8.888 -10.409 700 HB3 LYS 87 HB1 LYS 87 -6.650 -7.854 -10.775 701 HG2 LYS 87 HG2 LYS 87 -5.914 -7.630 -13.093 702 HG3 LYS 87 HG1 LYS 87 -4.452 -8.556 -12.746 703 HD2 LYS 87 HD2 LYS 87 -5.817 -10.520 -12.167 704 HD3 LYS 87 HD1 LYS 87 -7.288 -9.601 -12.493 705 HE2 LYS 87 HE2 LYS 87 -6.559 -9.272 -14.833 706 HE3 LYS 87 HE1 LYS 87 -5.103 -10.210 -14.505 707 HZ1 LYS 87 HZ1 LYS 87 -6.710 -12.018 -13.756 708 HZ2 LYS 87 HZ2 LYS 87 -6.580 -11.731 -15.426 709 HZ3 LYS 87 HZ3 LYS 87 -7.910 -11.128 -14.558 710 H ASN 88 HN ASN 88 -5.258 -5.846 -12.995 711 HA ASN 88 HA ASN 88 -6.578 -4.088 -13.816 712 HB2 ASN 88 HB2 ASN 88 -8.103 -5.007 -11.825 713 HB3 ASN 88 HB1 ASN 88 -7.657 -3.479 -11.072 714 HD21 ASN 88 HD21 ASN 88 -9.276 -4.889 -13.919 715 HD22 ASN 88 HD22 ASN 88 -10.133 -3.482 -14.332 716 H SER 89 HN SER 89 -4.486 -3.759 -11.087 717 HA SER 89 HA SER 89 -4.490 -0.853 -11.042 718 HB2 SER 89 HB2 SER 89 -2.852 -1.038 -9.375 719 HB3 SER 89 HB1 SER 89 -3.795 -2.510 -9.163 720 HG SER 89 HG SER 89 -1.376 -2.227 -10.631 721 H SER 90 HN SER 90 -2.506 0.432 -11.572 722 HA SER 90 HA SER 90 -0.756 -0.789 -13.644 723 HB2 SER 90 HB2 SER 90 -1.220 0.950 -15.256 724 HB3 SER 90 HB1 SER 90 -2.758 0.230 -14.791 725 HG SER 90 HG SER 90 -2.803 1.986 -13.165 726 H ILE 91 HN ILE 91 1.049 0.796 -14.210 727 HA ILE 91 HA ILE 91 1.584 2.766 -12.043 728 HB ILE 91 HB ILE 91 3.465 0.552 -12.916 729 HG12 ILE 91 HG12 ILE 91 2.347 1.210 -10.172 730 HG13 ILE 91 HG11 ILE 91 1.660 -0.012 -11.237 731 HG21 ILE 91 HG21 ILE 91 4.789 2.524 -12.627 732 HG22 ILE 91 HG22 ILE 91 4.948 1.616 -11.125 733 HG23 ILE 91 HG23 ILE 91 3.874 3.012 -11.202 734 HD11 ILE 91 HD11 ILE 91 3.260 -0.946 -9.553 735 HD12 ILE 91 HD12 ILE 91 4.541 -0.009 -10.321 736 HD13 ILE 91 HD13 ILE 91 3.716 -1.280 -11.224 737 H GLU 92 HN GLU 92 2.429 4.641 -12.884 738 HA GLU 92 HA GLU 92 3.664 4.529 -15.621 739 HB2 GLU 92 HB2 GLU 92 1.871 6.733 -14.557 740 HB3 GLU 92 HB1 GLU 92 2.583 6.641 -16.164 741 HG2 GLU 92 HG2 GLU 92 1.326 4.561 -16.599 742 HG3 GLU 92 HG1 GLU 92 0.603 4.675 -14.992 743 H LYS 93 HN LYS 93 5.615 5.482 -15.705 744 HA LYS 93 HA LYS 93 6.877 6.507 -13.319 745 HB2 LYS 93 HB2 LYS 93 8.073 5.349 -15.198 746 HB3 LYS 93 HB1 LYS 93 7.812 6.786 -16.186 747 HG2 LYS 93 HG2 LYS 93 9.085 8.151 -14.621 748 HG3 LYS 93 HG1 LYS 93 9.260 6.781 -13.521 749 HD2 LYS 93 HD2 LYS 93 10.494 5.543 -15.275 750 HD3 LYS 93 HD1 LYS 93 10.350 6.935 -16.347 751 HE2 LYS 93 HE2 LYS 93 11.743 6.927 -13.653 752 HE3 LYS 93 HE1 LYS 93 12.547 6.911 -15.222 753 HZ1 LYS 93 HZ1 LYS 93 11.519 9.027 -15.740 754 HZ2 LYS 93 HZ2 LYS 93 12.420 9.143 -14.305 755 HZ3 LYS 93 HZ3 LYS 93 10.726 9.041 -14.242 756 H LEU 94 HN LEU 94 7.168 8.619 -12.661 757 HA LEU 94 HA LEU 94 5.706 10.693 -14.216 758 HB2 LEU 94 HB2 LEU 94 5.959 10.104 -11.431 759 HB3 LEU 94 HB1 LEU 94 6.708 11.678 -11.679 760 HG LEU 94 HG LEU 94 4.313 11.914 -11.188 761 HD11 LEU 94 HD11 LEU 94 5.677 13.252 -13.110 762 HD12 LEU 94 HD12 LEU 94 4.008 13.617 -12.693 763 HD13 LEU 94 HD13 LEU 94 4.361 12.605 -14.091 764 HD21 LEU 94 HD21 LEU 94 2.652 10.698 -12.188 765 HD22 LEU 94 HD22 LEU 94 3.956 9.575 -12.575 766 HD23 LEU 94 HD23 LEU 94 3.414 10.745 -13.775 767 H SER 95 HN SER 95 6.690 12.371 -15.148 768 HA SER 95 HA SER 95 9.606 12.325 -15.375 769 HB2 SER 95 HB2 SER 95 7.743 14.424 -16.491 770 HB3 SER 95 HB1 SER 95 9.325 13.939 -17.095 771 HG SER 95 HG SER 95 6.848 12.621 -17.241 772 H GLU 96 HN GLU 96 7.423 13.669 -13.170 773 HA GLU 96 HA GLU 96 9.344 15.863 -12.517 774 HB2 GLU 96 HB2 GLU 96 7.022 16.550 -13.310 775 HB3 GLU 96 HB1 GLU 96 6.416 15.860 -11.802 776 HG2 GLU 96 HG2 GLU 96 7.980 17.328 -10.536 777 HG3 GLU 96 HG1 GLU 96 8.483 18.062 -12.059 778 HA PRO 97 HA PRO 97 9.559 13.283 -8.781 779 HB2 PRO 97 HB2 PRO 97 11.642 14.540 -7.566 780 HB3 PRO 97 HB1 PRO 97 11.863 13.457 -8.955 781 HG2 PRO 97 HG2 PRO 97 11.827 16.437 -8.867 782 HG3 PRO 97 HG1 PRO 97 12.856 15.348 -9.817 783 HD2 PRO 97 HD2 PRO 97 10.629 16.648 -10.832 784 HD3 PRO 97 HD1 PRO 97 11.292 15.139 -11.507 785 H ILE 98 HN ILE 98 9.257 13.614 -6.455 786 HA ILE 98 HA ILE 98 7.604 16.025 -5.894 787 HB ILE 98 HB ILE 98 7.210 14.470 -3.716 788 HG12 ILE 98 HG12 ILE 98 8.959 12.838 -4.850 789 HG13 ILE 98 HG11 ILE 98 7.544 12.183 -4.040 790 HG21 ILE 98 HG21 ILE 98 5.335 15.092 -5.004 791 HG22 ILE 98 HG22 ILE 98 5.338 13.330 -5.079 792 HG23 ILE 98 HG23 ILE 98 5.941 14.274 -6.445 793 HD11 ILE 98 HD11 ILE 98 6.469 11.653 -6.054 794 HD12 ILE 98 HD12 ILE 98 8.154 11.328 -6.454 795 HD13 ILE 98 HD13 ILE 98 7.396 12.824 -6.980 796 H GLU 99 HN GLU 99 7.963 17.240 -3.961 797 HA GLU 99 HA GLU 99 10.563 18.019 -3.402 798 HB2 GLU 99 HB2 GLU 99 8.152 17.989 -1.575 799 HB3 GLU 99 HB1 GLU 99 9.660 18.815 -1.184 800 HG2 GLU 99 HG2 GLU 99 9.465 20.197 -3.180 801 HG3 GLU 99 HG1 GLU 99 8.009 19.329 -3.668 802 H VAL 100 HN VAL 100 8.869 16.434 -0.735 803 HA VAL 100 HA VAL 100 9.608 14.825 0.802 804 HB VAL 100 HB VAL 100 11.471 13.807 -1.354 805 HG11 VAL 100 HG11 VAL 100 10.865 11.627 -0.328 806 HG12 VAL 100 HG12 VAL 100 9.848 12.475 0.836 807 HG13 VAL 100 HG13 VAL 100 11.593 12.727 0.843 808 HG21 VAL 100 HG21 VAL 100 8.459 13.602 -1.173 809 HG22 VAL 100 HG22 VAL 100 9.420 12.395 -2.027 810 HG23 VAL 100 HG23 VAL 100 9.439 14.076 -2.559 811 H GLY 101 HN GLY 101 12.568 15.308 -1.139 812 HA2 GLY 101 HA2 GLY 101 14.157 15.686 1.278 813 HA3 GLY 101 HA1 GLY 101 14.749 15.799 -0.382 814 H LEU 102 HN LEU 102 14.263 17.815 -1.573 815 HA LEU 102 HA LEU 102 13.373 20.115 0.047 816 HB2 LEU 102 HB2 LEU 102 15.965 19.645 0.290 817 HB3 LEU 102 HB1 LEU 102 16.049 20.378 -1.309 818 HG LEU 102 HG LEU 102 14.527 22.254 -0.181 819 HD11 LEU 102 HD11 LEU 102 14.259 21.074 1.964 820 HD12 LEU 102 HD12 LEU 102 15.133 22.585 2.198 821 HD13 LEU 102 HD13 LEU 102 16.008 21.054 2.181 822 HD21 LEU 102 HD21 LEU 102 16.610 23.468 0.465 823 HD22 LEU 102 HD22 LEU 102 16.754 22.674 -1.103 824 HD23 LEU 102 HD23 LEU 102 17.508 21.956 0.320 825 H GLU 103 HN GLU 103 14.811 21.882 -1.919 826 HA GLU 103 HA GLU 103 12.783 21.663 -4.083 827 HB2 GLU 103 HB2 GLU 103 13.058 23.810 -2.822 828 HB3 GLU 103 HB1 GLU 103 14.704 23.924 -3.441 829 HG2 GLU 103 HG2 GLU 103 13.308 25.265 -4.873 830 HG3 GLU 103 HG1 GLU 103 13.726 23.813 -5.779 831 H HIS 104 HN HIS 104 13.510 20.391 -5.725 832 HA HIS 104 HA HIS 104 14.982 19.460 -7.313 833 HB2 HIS 104 HB2 HIS 104 15.658 22.411 -7.382 834 HB3 HIS 104 HB1 HIS 104 16.259 21.253 -8.568 835 HD1 HIS 104 HD1 HIS 104 12.993 22.673 -7.250 836 HD2 HIS 104 HD2 HIS 104 14.414 20.566 -10.555 837 HE1 HIS 104 HE1 HIS 104 11.081 22.564 -8.907 838 H HIS 105 HN HIS 105 17.599 20.173 -8.032 839 HA HIS 105 HA HIS 105 19.122 18.848 -5.996 840 HB2 HIS 105 HB2 HIS 105 19.932 20.481 -8.415 841 HB3 HIS 105 HB1 HIS 105 21.096 19.646 -7.385 842 HD1 HIS 105 HD1 HIS 105 18.120 18.930 -9.630 843 HD2 HIS 105 HD2 HIS 105 21.304 16.899 -7.863 844 HE1 HIS 105 HE1 HIS 105 18.101 16.588 -10.596 845 H HIS 106 HN HIS 106 18.683 22.259 -6.852 846 HA HIS 106 HA HIS 106 19.403 24.215 -5.773 847 HB2 HIS 106 HB2 HIS 106 17.760 23.398 -4.132 848 HB3 HIS 106 HB1 HIS 106 19.010 22.424 -3.357 849 HD1 HIS 106 HD1 HIS 106 20.515 23.580 -1.691 850 HD2 HIS 106 HD2 HIS 106 18.253 26.286 -3.912 851 HE1 HIS 106 HE1 HIS 106 20.904 25.857 -0.655 852 H HIS 107 HN HIS 107 21.542 24.268 -6.554 853 HA HIS 107 HA HIS 107 23.693 22.791 -5.268 854 HB2 HIS 107 HB2 HIS 107 23.732 25.145 -7.182 855 HB3 HIS 107 HB1 HIS 107 25.150 24.210 -6.709 856 HD1 HIS 107 HD1 HIS 107 25.150 21.635 -7.414 857 HD2 HIS 107 HD2 HIS 107 22.163 23.953 -9.171 858 HE1 HIS 107 HE1 HIS 107 24.247 20.286 -9.358 859 H HIS 108 HN HIS 108 25.224 23.593 -3.797 860 HA HIS 108 HA HIS 108 24.364 25.632 -1.969 861 HB2 HIS 108 HB2 HIS 108 25.887 23.784 -1.325 862 HB3 HIS 108 HB1 HIS 108 27.135 24.463 -2.370 863 HD1 HIS 108 HD1 HIS 108 24.961 25.618 0.549 864 HD2 HIS 108 HD2 HIS 108 28.759 26.260 -1.047 865 HE1 HIS 108 HE1 HIS 108 26.148 27.195 2.137 866 H HIS 109 HN HIS 109 26.796 25.607 -4.571 867 HA HIS 109 HA HIS 109 27.438 28.438 -4.162 868 HB2 HIS 109 HB2 HIS 109 29.145 26.832 -4.961 869 HB3 HIS 109 HB1 HIS 109 28.186 26.545 -6.412 870 HD1 HIS 109 HD1 HIS 109 28.130 28.410 -8.205 871 HD2 HIS 109 HD2 HIS 109 30.478 29.357 -4.893 872 HE1 HIS 109 HE1 HIS 109 29.473 30.460 -8.841 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -8.643 14.402 -18.333 2 H2 MET 1 HT2 MET 1 -8.245 15.024 -16.802 3 H3 MET 1 HT3 MET 1 -9.667 15.528 -17.585 4 HA MET 1 HA MET 1 -10.633 14.012 -16.250 5 HB2 MET 1 HB2 MET 1 -9.398 12.303 -18.433 6 HB3 MET 1 HB1 MET 1 -10.707 11.774 -17.373 7 HG2 MET 1 HG2 MET 1 -12.119 13.625 -18.172 8 HG3 MET 1 HG1 MET 1 -10.811 14.182 -19.217 9 HE1 MET 1 HE1 MET 1 -13.144 12.855 -21.904 10 HE2 MET 1 HE2 MET 1 -12.028 14.122 -21.403 11 HE3 MET 1 HE3 MET 1 -13.484 13.817 -20.460 12 H GLU 2 HN GLU 2 -7.943 14.587 -15.306 13 HA GLU 2 HA GLU 2 -6.369 12.346 -14.697 14 HB2 GLU 2 HB2 GLU 2 -6.943 14.908 -13.205 15 HB3 GLU 2 HB1 GLU 2 -5.840 13.707 -12.540 16 HG2 GLU 2 HG2 GLU 2 -4.611 15.400 -13.849 17 HG3 GLU 2 HG1 GLU 2 -4.481 13.808 -14.599 18 HA PRO 3 HA PRO 3 -8.902 9.949 -11.936 19 HB2 PRO 3 HB2 PRO 3 -7.025 8.709 -10.388 20 HB3 PRO 3 HB1 PRO 3 -7.270 8.307 -12.099 21 HG2 PRO 3 HG2 PRO 3 -5.206 10.082 -10.860 22 HG3 PRO 3 HG1 PRO 3 -5.015 8.849 -12.122 23 HD2 PRO 3 HD2 PRO 3 -5.182 11.500 -12.711 24 HD3 PRO 3 HD1 PRO 3 -5.813 10.251 -13.804 25 H GLN 4 HN GLN 4 -9.125 9.475 -9.425 26 HA GLN 4 HA GLN 4 -9.348 12.069 -8.115 27 HB2 GLN 4 HB2 GLN 4 -9.825 9.266 -7.061 28 HB3 GLN 4 HB1 GLN 4 -10.275 10.754 -6.230 29 HG2 GLN 4 HG2 GLN 4 -12.256 10.074 -7.344 30 HG3 GLN 4 HG1 GLN 4 -11.590 11.350 -8.363 31 HE21 GLN 4 HE21 GLN 4 -12.150 7.862 -8.148 32 HE22 GLN 4 HE22 GLN 4 -11.742 7.517 -9.760 33 H LEU 5 HN LEU 5 -7.698 13.036 -7.018 34 HA LEU 5 HA LEU 5 -5.373 11.430 -6.180 35 HB2 LEU 5 HB2 LEU 5 -5.976 14.379 -6.351 36 HB3 LEU 5 HB1 LEU 5 -4.561 13.802 -5.477 37 HG LEU 5 HG LEU 5 -4.131 14.412 -7.891 38 HD11 LEU 5 HD11 LEU 5 -2.525 12.770 -8.140 39 HD12 LEU 5 HD12 LEU 5 -3.611 11.464 -7.679 40 HD13 LEU 5 HD13 LEU 5 -2.917 12.512 -6.444 41 HD21 LEU 5 HD21 LEU 5 -5.643 11.868 -8.510 42 HD22 LEU 5 HD22 LEU 5 -5.015 13.060 -9.649 43 HD23 LEU 5 HD23 LEU 5 -6.389 13.463 -8.620 44 H THR 6 HN THR 6 -5.134 10.709 -4.159 45 HA THR 6 HA THR 6 -6.713 11.997 -1.937 46 HB THR 6 HB THR 6 -5.924 9.078 -2.197 47 HG1 THR 6 HG1 THR 6 -8.467 9.232 -2.169 48 HG21 THR 6 HG21 THR 6 -7.630 8.920 -0.292 49 HG22 THR 6 HG22 THR 6 -7.470 10.670 -0.149 50 HG23 THR 6 HG23 THR 6 -6.067 9.633 0.109 51 H LYS 7 HN LYS 7 -5.564 12.411 -0.020 52 HA LYS 7 HA LYS 7 -2.610 12.167 -0.235 53 HB2 LYS 7 HB2 LYS 7 -4.374 13.669 1.714 54 HB3 LYS 7 HB1 LYS 7 -2.614 13.721 1.704 55 HG2 LYS 7 HG2 LYS 7 -2.698 14.560 -0.651 56 HG3 LYS 7 HG1 LYS 7 -4.455 14.622 -0.530 57 HD2 LYS 7 HD2 LYS 7 -2.585 16.101 1.345 58 HD3 LYS 7 HD1 LYS 7 -3.317 16.829 -0.084 59 HE2 LYS 7 HE2 LYS 7 -5.578 16.076 0.913 60 HE3 LYS 7 HE1 LYS 7 -4.688 15.828 2.415 61 HZ1 LYS 7 HZ1 LYS 7 -4.462 18.369 0.945 62 HZ2 LYS 7 HZ2 LYS 7 -4.177 18.052 2.590 63 HZ3 LYS 7 HZ3 LYS 7 -5.766 18.093 1.993 64 H ILE 8 HN ILE 8 -1.376 11.138 1.374 65 HA ILE 8 HA ILE 8 -2.445 8.794 2.559 66 HB ILE 8 HB ILE 8 0.027 10.400 3.263 67 HG12 ILE 8 HG12 ILE 8 -0.237 7.824 1.685 68 HG13 ILE 8 HG11 ILE 8 -0.202 9.415 0.928 69 HG21 ILE 8 HG21 ILE 8 0.789 8.163 4.227 70 HG22 ILE 8 HG22 ILE 8 -0.896 7.654 4.138 71 HG23 ILE 8 HG23 ILE 8 -0.440 9.015 5.161 72 HD11 ILE 8 HD11 ILE 8 1.981 8.036 2.485 73 HD12 ILE 8 HD12 ILE 8 1.997 9.780 2.252 74 HD13 ILE 8 HD13 ILE 8 2.052 8.703 0.857 75 H VAL 9 HN VAL 9 -1.776 11.991 3.970 76 HA VAL 9 HA VAL 9 -2.590 11.296 6.638 77 HB VAL 9 HB VAL 9 -1.241 13.320 6.030 78 HG11 VAL 9 HG11 VAL 9 -2.795 13.841 4.038 79 HG12 VAL 9 HG12 VAL 9 -2.239 15.208 5.003 80 HG13 VAL 9 HG13 VAL 9 -3.870 14.574 5.228 81 HG21 VAL 9 HG21 VAL 9 -2.522 13.071 8.196 82 HG22 VAL 9 HG22 VAL 9 -3.824 14.008 7.460 83 HG23 VAL 9 HG23 VAL 9 -2.239 14.743 7.708 84 H ASP 10 HN ASP 10 -4.352 11.780 3.755 85 HA ASP 10 HA ASP 10 -6.863 12.535 5.144 86 HB2 ASP 10 HB2 ASP 10 -6.352 13.558 2.955 87 HB3 ASP 10 HB1 ASP 10 -6.315 11.957 2.215 88 H ILE 11 HN ILE 11 -5.267 9.747 5.040 89 HA ILE 11 HA ILE 11 -7.476 7.998 4.132 90 HB ILE 11 HB ILE 11 -4.741 7.379 5.286 91 HG12 ILE 11 HG12 ILE 11 -5.825 6.973 2.483 92 HG13 ILE 11 HG11 ILE 11 -4.880 8.384 2.966 93 HG21 ILE 11 HG21 ILE 11 -6.975 5.588 4.302 94 HG22 ILE 11 HG22 ILE 11 -6.173 5.549 5.872 95 HG23 ILE 11 HG23 ILE 11 -5.302 5.044 4.427 96 HD11 ILE 11 HD11 ILE 11 -3.982 5.489 3.072 97 HD12 ILE 11 HD12 ILE 11 -3.049 6.845 3.704 98 HD13 ILE 11 HD13 ILE 11 -3.384 6.734 1.975 99 H VAL 12 HN VAL 12 -9.050 7.384 5.514 100 HA VAL 12 HA VAL 12 -8.381 6.944 8.382 101 HB VAL 12 HB VAL 12 -10.410 8.170 9.098 102 HG11 VAL 12 HG11 VAL 12 -9.489 10.393 8.833 103 HG12 VAL 12 HG12 VAL 12 -8.602 9.903 7.390 104 HG13 VAL 12 HG13 VAL 12 -8.142 9.262 8.968 105 HG21 VAL 12 HG21 VAL 12 -11.694 7.972 7.003 106 HG22 VAL 12 HG22 VAL 12 -10.524 9.004 6.181 107 HG23 VAL 12 HG23 VAL 12 -11.531 9.664 7.469 108 H GLU 13 HN GLU 13 -9.723 5.795 5.583 109 HA GLU 13 HA GLU 13 -11.416 3.833 7.094 110 HB2 GLU 13 HB2 GLU 13 -12.849 5.479 5.872 111 HB3 GLU 13 HB1 GLU 13 -12.061 5.003 4.368 112 HG2 GLU 13 HG2 GLU 13 -12.840 2.696 4.662 113 HG3 GLU 13 HG1 GLU 13 -13.582 3.127 6.203 114 H ASN 14 HN ASN 14 -10.960 1.732 6.578 115 HA ASN 14 HA ASN 14 -8.810 1.237 4.603 116 HB2 ASN 14 HB2 ASN 14 -8.762 -1.024 5.556 117 HB3 ASN 14 HB1 ASN 14 -8.701 0.179 6.844 118 HD21 ASN 14 HD21 ASN 14 -9.593 -1.775 8.144 119 HD22 ASN 14 HD22 ASN 14 -11.277 -1.988 8.159 120 H GLY 15 HN GLY 15 -9.062 -0.501 2.983 121 HA2 GLY 15 HA2 GLY 15 -10.262 -1.707 1.358 122 HA3 GLY 15 HA1 GLY 15 -11.694 -1.558 2.378 123 H GLN 16 HN GLN 16 -10.002 1.347 1.593 124 HA GLN 16 HA GLN 16 -12.297 2.201 -0.104 125 HB2 GLN 16 HB2 GLN 16 -11.734 3.623 1.814 126 HB3 GLN 16 HB1 GLN 16 -10.082 3.791 1.222 127 HG2 GLN 16 HG2 GLN 16 -10.820 4.980 -0.736 128 HG3 GLN 16 HG1 GLN 16 -12.513 4.626 -0.379 129 HE21 GLN 16 HE21 GLN 16 -10.335 7.114 -0.192 130 HE22 GLN 16 HE22 GLN 16 -10.967 7.950 1.143 131 H TRP 17 HN TRP 17 -11.967 3.049 -2.183 132 HA TRP 17 HA TRP 17 -9.413 2.224 -3.478 133 HB2 TRP 17 HB2 TRP 17 -12.156 2.935 -4.544 134 HB3 TRP 17 HB1 TRP 17 -10.758 2.702 -5.595 135 HD1 TRP 17 HD1 TRP 17 -13.252 0.831 -3.463 136 HE1 TRP 17 HE1 TRP 17 -12.905 -1.706 -3.771 137 HE3 TRP 17 HE3 TRP 17 -8.888 0.852 -6.115 138 HZ2 TRP 17 HZ2 TRP 17 -11.025 -3.489 -4.982 139 HZ3 TRP 17 HZ3 TRP 17 -7.842 -1.276 -6.832 140 HH2 TRP 17 HH2 TRP 17 -8.903 -3.445 -6.270 141 H ALA 18 HN ALA 18 -8.009 3.711 -4.302 142 HA ALA 18 HA ALA 18 -8.861 6.467 -4.850 143 HB1 ALA 18 HB1 ALA 18 -6.884 5.873 -2.628 144 HB2 ALA 18 HB2 ALA 18 -8.485 6.584 -2.434 145 HB3 ALA 18 HB3 ALA 18 -7.223 7.474 -3.282 146 H ASN 19 HN ASN 19 -6.929 7.792 -5.596 147 HA ASN 19 HA ASN 19 -4.801 6.076 -6.838 148 HB2 ASN 19 HB2 ASN 19 -6.311 8.325 -8.200 149 HB3 ASN 19 HB1 ASN 19 -5.029 7.346 -8.917 150 HD21 ASN 19 HD21 ASN 19 -6.044 4.870 -7.508 151 HD22 ASN 19 HD22 ASN 19 -7.427 4.402 -8.375 152 H LEU 20 HN LEU 20 -2.748 6.989 -6.700 153 HA LEU 20 HA LEU 20 -2.413 9.851 -6.352 154 HB2 LEU 20 HB2 LEU 20 -1.453 9.823 -4.156 155 HB3 LEU 20 HB1 LEU 20 -3.041 9.114 -4.073 156 HG LEU 20 HG LEU 20 -1.677 7.778 -2.704 157 HD11 LEU 20 HD11 LEU 20 -1.773 6.259 -5.296 158 HD12 LEU 20 HD12 LEU 20 -3.204 6.610 -4.342 159 HD13 LEU 20 HD13 LEU 20 -1.909 5.624 -3.664 160 HD21 LEU 20 HD21 LEU 20 0.310 7.046 -4.817 161 HD22 LEU 20 HD22 LEU 20 0.497 7.144 -3.074 162 HD23 LEU 20 HD23 LEU 20 0.493 8.616 -4.033 163 H LYS 21 HN LYS 21 0.068 10.215 -5.707 164 HA LYS 21 HA LYS 21 1.731 8.220 -7.209 165 HB2 LYS 21 HB2 LYS 21 2.935 9.984 -8.315 166 HB3 LYS 21 HB1 LYS 21 1.223 10.306 -8.573 167 HG2 LYS 21 HG2 LYS 21 1.272 11.911 -6.661 168 HG3 LYS 21 HG1 LYS 21 3.006 11.634 -6.504 169 HD2 LYS 21 HD2 LYS 21 3.363 12.424 -8.801 170 HD3 LYS 21 HD1 LYS 21 1.630 12.701 -8.982 171 HE2 LYS 21 HE2 LYS 21 2.809 14.794 -8.412 172 HE3 LYS 21 HE1 LYS 21 1.692 14.327 -7.130 173 HZ1 LYS 21 HZ1 LYS 21 3.408 13.643 -5.768 174 HZ2 LYS 21 HZ2 LYS 21 4.073 15.017 -6.515 175 HZ3 LYS 21 HZ3 LYS 21 4.507 13.462 -7.046 176 H ALA 22 HN ALA 22 3.851 7.993 -6.403 177 HA ALA 22 HA ALA 22 4.670 9.637 -4.084 178 HB1 ALA 22 HB1 ALA 22 4.486 6.671 -3.614 179 HB2 ALA 22 HB2 ALA 22 3.093 7.715 -3.333 180 HB3 ALA 22 HB3 ALA 22 4.587 7.984 -2.438 181 H LYS 23 HN LYS 23 6.808 9.237 -3.360 182 HA LYS 23 HA LYS 23 8.589 8.248 -5.518 183 HB2 LYS 23 HB2 LYS 23 8.996 10.480 -4.530 184 HB3 LYS 23 HB1 LYS 23 9.241 9.727 -2.955 185 HG2 LYS 23 HG2 LYS 23 11.146 8.463 -3.817 186 HG3 LYS 23 HG1 LYS 23 10.878 9.117 -5.433 187 HD2 LYS 23 HD2 LYS 23 11.279 11.400 -4.565 188 HD3 LYS 23 HD1 LYS 23 11.571 10.729 -2.959 189 HE2 LYS 23 HE2 LYS 23 13.465 9.426 -3.829 190 HE3 LYS 23 HE1 LYS 23 13.166 10.059 -5.448 191 HZ1 LYS 23 HZ1 LYS 23 13.318 12.316 -4.059 192 HZ2 LYS 23 HZ2 LYS 23 14.660 11.587 -4.803 193 HZ3 LYS 23 HZ3 LYS 23 14.371 11.352 -3.145 194 H VAL 24 HN VAL 24 10.290 6.708 -5.084 195 HA VAL 24 HA VAL 24 9.539 4.780 -2.952 196 HB VAL 24 HB VAL 24 11.495 4.579 -5.256 197 HG11 VAL 24 HG11 VAL 24 10.505 2.532 -3.246 198 HG12 VAL 24 HG12 VAL 24 12.167 3.084 -3.455 199 HG13 VAL 24 HG13 VAL 24 11.392 2.124 -4.714 200 HG21 VAL 24 HG21 VAL 24 9.809 3.368 -6.399 201 HG22 VAL 24 HG22 VAL 24 8.961 4.751 -5.714 202 HG23 VAL 24 HG23 VAL 24 8.840 3.170 -4.940 203 H ILE 25 HN ILE 25 10.420 5.552 -1.053 204 HA ILE 25 HA ILE 25 13.095 6.674 -0.892 205 HB ILE 25 HB ILE 25 11.331 5.570 1.312 206 HG12 ILE 25 HG12 ILE 25 10.484 7.536 -0.197 207 HG13 ILE 25 HG11 ILE 25 10.374 7.698 1.552 208 HG21 ILE 25 HG21 ILE 25 13.506 5.724 2.205 209 HG22 ILE 25 HG22 ILE 25 12.750 7.247 2.671 210 HG23 ILE 25 HG23 ILE 25 13.869 7.200 1.310 211 HD11 ILE 25 HD11 ILE 25 12.828 8.699 0.116 212 HD12 ILE 25 HD12 ILE 25 12.153 9.219 1.655 213 HD13 ILE 25 HD13 ILE 25 11.364 9.679 0.148 214 H GLN 26 HN GLN 26 11.771 3.441 -0.713 215 HA GLN 26 HA GLN 26 14.430 2.302 -0.808 216 HB2 GLN 26 HB2 GLN 26 14.304 2.828 1.609 217 HB3 GLN 26 HB1 GLN 26 12.827 1.871 1.731 218 HG2 GLN 26 HG2 GLN 26 14.000 -0.149 1.119 219 HG3 GLN 26 HG1 GLN 26 15.462 0.758 0.735 220 HE21 GLN 26 HE21 GLN 26 16.919 0.099 2.355 221 HE22 GLN 26 HE22 GLN 26 16.597 0.185 4.019 222 H LEU 27 HN LEU 27 14.345 -0.041 -1.071 223 HA LEU 27 HA LEU 27 11.614 -1.113 -1.701 224 HB2 LEU 27 HB2 LEU 27 12.403 -2.122 -3.711 225 HB3 LEU 27 HB1 LEU 27 12.960 -0.454 -3.754 226 HG LEU 27 HG LEU 27 14.622 -2.877 -2.972 227 HD11 LEU 27 HD11 LEU 27 14.114 -2.589 -5.401 228 HD12 LEU 27 HD12 LEU 27 15.830 -2.431 -5.024 229 HD13 LEU 27 HD13 LEU 27 14.858 -0.991 -5.329 230 HD21 LEU 27 HD21 LEU 27 15.556 -1.166 -1.667 231 HD22 LEU 27 HD22 LEU 27 15.128 0.094 -2.825 232 HD23 LEU 27 HD23 LEU 27 16.470 -0.996 -3.165 233 H TRP 28 HN TRP 28 11.377 -3.406 -1.459 234 HA TRP 28 HA TRP 28 13.609 -4.870 -0.164 235 HB2 TRP 28 HB2 TRP 28 10.937 -4.258 1.115 236 HB3 TRP 28 HB1 TRP 28 11.858 -5.690 1.574 237 HD1 TRP 28 HD1 TRP 28 12.202 -1.856 1.437 238 HE1 TRP 28 HE1 TRP 28 13.949 -1.135 3.190 239 HE3 TRP 28 HE3 TRP 28 13.761 -6.436 3.055 240 HZ2 TRP 28 HZ2 TRP 28 15.769 -2.345 5.037 241 HZ3 TRP 28 HZ3 TRP 28 15.504 -6.626 4.811 242 HH2 TRP 28 HH2 TRP 28 16.508 -4.587 5.803 243 H GLU 29 HN GLU 29 13.742 -6.782 -1.141 244 HA GLU 29 HA GLU 29 11.754 -7.733 -3.005 245 HB2 GLU 29 HB2 GLU 29 13.178 -9.739 -3.179 246 HB3 GLU 29 HB1 GLU 29 14.160 -8.274 -3.227 247 HG2 GLU 29 HG2 GLU 29 14.590 -8.534 -0.777 248 HG3 GLU 29 HG1 GLU 29 13.711 -10.063 -0.818 249 H ASN 30 HN ASN 30 10.139 -9.305 -2.734 250 HA ASN 30 HA ASN 30 9.077 -9.699 -0.126 251 HB2 ASN 30 HB2 ASN 30 7.510 -11.178 -1.130 252 HB3 ASN 30 HB1 ASN 30 7.902 -10.009 -2.387 253 HD21 ASN 30 HD21 ASN 30 7.195 -13.100 -2.284 254 HD22 ASN 30 HD22 ASN 30 8.314 -13.768 -3.364 255 H THR 31 HN THR 31 9.355 -11.331 1.392 256 HA THR 31 HA THR 31 11.669 -13.160 0.944 257 HB THR 31 HB THR 31 11.669 -13.449 3.362 258 HG1 THR 31 HG1 THR 31 10.019 -12.859 4.572 259 HG21 THR 31 HG21 THR 31 12.161 -11.177 4.049 260 HG22 THR 31 HG22 THR 31 11.196 -10.525 2.726 261 HG23 THR 31 HG23 THR 31 12.698 -11.382 2.382 262 H HIS 32 HN HIS 32 8.389 -13.197 0.542 263 HA HIS 32 HA HIS 32 8.308 -16.164 0.799 264 HB2 HIS 32 HB2 HIS 32 6.224 -14.282 1.938 265 HB3 HIS 32 HB1 HIS 32 6.080 -16.039 1.862 266 HD1 HIS 32 HD1 HIS 32 8.109 -17.376 3.142 267 HD2 HIS 32 HD2 HIS 32 7.526 -13.391 4.217 268 HE1 HIS 32 HE1 HIS 32 9.300 -17.050 5.352 269 H GLU 33 HN GLU 33 6.739 -17.130 -0.571 270 HA GLU 33 HA GLU 33 6.394 -15.911 -3.113 271 HB2 GLU 33 HB2 GLU 33 4.831 -17.753 -3.597 272 HB3 GLU 33 HB1 GLU 33 6.266 -18.349 -2.764 273 HG2 GLU 33 HG2 GLU 33 5.017 -18.261 -0.611 274 HG3 GLU 33 HG1 GLU 33 3.575 -17.758 -1.493 275 H SER 34 HN SER 34 3.878 -15.991 -3.987 276 HA SER 34 HA SER 34 1.792 -14.920 -3.977 277 HB2 SER 34 HB2 SER 34 0.633 -14.813 -1.978 278 HB3 SER 34 HB1 SER 34 1.935 -15.892 -1.482 279 HG SER 34 HG SER 34 1.830 -13.067 -1.173 280 H ILE 35 HN ILE 35 4.018 -13.205 -1.724 281 HA ILE 35 HA ILE 35 3.127 -10.618 -2.835 282 HB ILE 35 HB ILE 35 5.167 -11.315 -0.698 283 HG12 ILE 35 HG12 ILE 35 2.452 -9.992 -0.438 284 HG13 ILE 35 HG11 ILE 35 2.694 -11.728 -0.240 285 HG21 ILE 35 HG21 ILE 35 4.896 -8.815 -0.195 286 HG22 ILE 35 HG22 ILE 35 4.185 -8.677 -1.803 287 HG23 ILE 35 HG23 ILE 35 5.850 -9.227 -1.618 288 HD11 ILE 35 HD11 ILE 35 2.747 -10.393 1.918 289 HD12 ILE 35 HD12 ILE 35 4.237 -9.651 1.335 290 HD13 ILE 35 HD13 ILE 35 4.173 -11.388 1.628 291 H SER 36 HN SER 36 4.303 -9.424 -4.297 292 HA SER 36 HA SER 36 6.615 -10.750 -5.572 293 HB2 SER 36 HB2 SER 36 6.292 -9.254 -7.358 294 HB3 SER 36 HB1 SER 36 4.655 -9.498 -6.754 295 HG SER 36 HG SER 36 5.346 -7.258 -7.096 296 H GLN 37 HN GLN 37 5.999 -7.442 -4.327 297 HA GLN 37 HA GLN 37 8.719 -7.419 -3.153 298 HB2 GLN 37 HB2 GLN 37 9.023 -6.625 -5.481 299 HB3 GLN 37 HB1 GLN 37 7.816 -5.371 -5.200 300 HG2 GLN 37 HG2 GLN 37 9.199 -4.357 -3.476 301 HG3 GLN 37 HG1 GLN 37 10.373 -5.669 -3.599 302 HE21 GLN 37 HE21 GLN 37 12.151 -5.105 -4.853 303 HE22 GLN 37 HE22 GLN 37 12.122 -4.034 -6.168 304 H VAL 38 HN VAL 38 9.000 -5.681 -1.637 305 HA VAL 38 HA VAL 38 6.543 -4.143 -0.909 306 HB VAL 38 HB VAL 38 8.221 -5.877 0.932 307 HG11 VAL 38 HG11 VAL 38 6.570 -4.962 2.688 308 HG12 VAL 38 HG12 VAL 38 6.242 -3.674 1.529 309 HG13 VAL 38 HG13 VAL 38 7.870 -3.887 2.173 310 HG21 VAL 38 HG21 VAL 38 6.503 -7.152 -0.127 311 HG22 VAL 38 HG22 VAL 38 5.315 -5.867 0.089 312 HG23 VAL 38 HG23 VAL 38 5.900 -6.771 1.486 313 H GLY 39 HN GLY 39 7.117 -2.264 0.511 314 HA2 GLY 39 HA2 GLY 39 9.789 -1.588 1.166 315 HA3 GLY 39 HA1 GLY 39 9.475 -0.935 -0.437 316 H LEU 40 HN LEU 40 9.821 1.153 0.660 317 HA LEU 40 HA LEU 40 7.376 2.118 2.130 318 HB2 LEU 40 HB2 LEU 40 10.190 3.239 2.291 319 HB3 LEU 40 HB1 LEU 40 8.809 3.684 3.292 320 HG LEU 40 HG LEU 40 10.113 0.947 3.222 321 HD11 LEU 40 HD11 LEU 40 10.208 3.195 5.255 322 HD12 LEU 40 HD12 LEU 40 11.559 2.571 4.309 323 HD13 LEU 40 HD13 LEU 40 10.812 1.564 5.549 324 HD21 LEU 40 HD21 LEU 40 7.853 0.582 3.809 325 HD22 LEU 40 HD22 LEU 40 7.745 2.098 4.704 326 HD23 LEU 40 HD23 LEU 40 8.657 0.743 5.370 327 H LEU 41 HN LEU 41 6.604 4.199 1.524 328 HA LEU 41 HA LEU 41 7.694 5.270 -1.065 329 HB2 LEU 41 HB2 LEU 41 4.832 5.207 -0.069 330 HB3 LEU 41 HB1 LEU 41 5.368 6.002 -1.545 331 HG LEU 41 HG LEU 41 5.736 3.059 -0.964 332 HD11 LEU 41 HD11 LEU 41 3.711 4.445 -2.744 333 HD12 LEU 41 HD12 LEU 41 3.351 3.668 -1.202 334 HD13 LEU 41 HD13 LEU 41 3.906 2.702 -2.569 335 HD21 LEU 41 HD21 LEU 41 6.438 4.866 -3.266 336 HD22 LEU 41 HD22 LEU 41 5.991 3.196 -3.609 337 HD23 LEU 41 HD23 LEU 41 7.364 3.540 -2.563 338 H GLY 42 HN GLY 42 8.347 7.352 -0.993 339 HA2 GLY 42 HA2 GLY 42 7.746 8.942 1.457 340 HA3 GLY 42 HA1 GLY 42 9.055 9.270 0.327 341 H ASP 43 HN ASP 43 5.817 9.975 1.139 342 HA ASP 43 HA ASP 43 5.339 11.374 -1.464 343 HB2 ASP 43 HB2 ASP 43 3.574 9.825 -0.536 344 HB3 ASP 43 HB1 ASP 43 3.394 10.947 0.812 345 H GLU 44 HN GLU 44 4.377 13.592 -1.264 346 HA GLU 44 HA GLU 44 6.003 15.252 0.445 347 HB2 GLU 44 HB2 GLU 44 5.088 15.909 -1.814 348 HB3 GLU 44 HB1 GLU 44 3.494 16.024 -1.073 349 HG2 GLU 44 HG2 GLU 44 4.430 18.242 -1.096 350 HG3 GLU 44 HG1 GLU 44 4.484 17.680 0.571 351 H THR 45 HN THR 45 2.954 13.668 0.871 352 HA THR 45 HA THR 45 2.127 15.484 3.064 353 HB THR 45 HB THR 45 0.080 14.216 3.098 354 HG1 THR 45 HG1 THR 45 1.534 12.400 1.481 355 HG21 THR 45 HG21 THR 45 -0.604 14.343 0.709 356 HG22 THR 45 HG22 THR 45 1.085 14.547 0.257 357 HG23 THR 45 HG23 THR 45 0.279 15.778 1.228 358 H GLY 46 HN GLY 46 4.025 12.689 2.684 359 HA2 GLY 46 HA2 GLY 46 4.950 12.369 5.223 360 HA3 GLY 46 HA1 GLY 46 3.386 11.561 5.334 361 H ILE 47 HN ILE 47 4.344 9.504 5.648 362 HA ILE 47 HA ILE 47 5.508 8.297 3.164 363 HB ILE 47 HB ILE 47 7.060 6.991 4.546 364 HG12 ILE 47 HG12 ILE 47 5.997 8.635 6.871 365 HG13 ILE 47 HG11 ILE 47 5.665 6.923 6.615 366 HG21 ILE 47 HG21 ILE 47 7.347 9.877 5.398 367 HG22 ILE 47 HG22 ILE 47 7.580 9.385 3.723 368 HG23 ILE 47 HG23 ILE 47 8.615 8.724 4.987 369 HD11 ILE 47 HD11 ILE 47 8.187 6.565 6.588 370 HD12 ILE 47 HD12 ILE 47 7.489 7.000 8.148 371 HD13 ILE 47 HD13 ILE 47 8.333 8.217 7.191 372 H ILE 48 HN ILE 48 5.142 5.944 3.036 373 HA ILE 48 HA ILE 48 3.340 4.692 4.955 374 HB ILE 48 HB ILE 48 1.737 6.070 3.685 375 HG12 ILE 48 HG12 ILE 48 1.477 3.164 2.874 376 HG13 ILE 48 HG11 ILE 48 1.175 3.740 4.515 377 HG21 ILE 48 HG21 ILE 48 3.160 6.066 1.577 378 HG22 ILE 48 HG22 ILE 48 1.433 5.818 1.322 379 HG23 ILE 48 HG23 ILE 48 2.539 4.446 1.262 380 HD11 ILE 48 HD11 ILE 48 -0.497 5.362 3.570 381 HD12 ILE 48 HD12 ILE 48 -0.945 3.672 3.337 382 HD13 ILE 48 HD13 ILE 48 -0.275 4.599 1.995 383 H LYS 49 HN LYS 49 3.145 2.429 4.587 384 HA LYS 49 HA LYS 49 5.332 1.283 3.002 385 HB2 LYS 49 HB2 LYS 49 3.141 -0.036 4.641 386 HB3 LYS 49 HB1 LYS 49 4.552 -0.858 3.977 387 HG2 LYS 49 HG2 LYS 49 6.031 0.596 5.303 388 HG3 LYS 49 HG1 LYS 49 4.626 1.426 5.967 389 HD2 LYS 49 HD2 LYS 49 3.834 -0.694 6.949 390 HD3 LYS 49 HD1 LYS 49 5.244 -1.524 6.289 391 HE2 LYS 49 HE2 LYS 49 6.729 -0.056 7.602 392 HE3 LYS 49 HE1 LYS 49 5.322 0.775 8.264 393 HZ1 LYS 49 HZ1 LYS 49 6.413 -1.170 9.561 394 HZ2 LYS 49 HZ2 LYS 49 5.510 -2.146 8.503 395 HZ3 LYS 49 HZ3 LYS 49 4.724 -1.029 9.513 396 H PHE 50 HN PHE 50 4.825 -0.618 1.416 397 HA PHE 50 HA PHE 50 2.111 -0.658 0.370 398 HB2 PHE 50 HB2 PHE 50 2.528 0.227 -1.782 399 HB3 PHE 50 HB1 PHE 50 3.334 1.365 -0.707 400 HD1 PHE 50 HD1 PHE 50 5.862 0.906 -0.206 401 HD2 PHE 50 HD2 PHE 50 3.729 -0.770 -3.534 402 HE1 PHE 50 HE1 PHE 50 8.002 0.535 -1.397 403 HE2 PHE 50 HE2 PHE 50 5.874 -1.166 -4.711 404 HZ PHE 50 HZ PHE 50 8.012 -0.513 -3.642 405 H THR 51 HN THR 51 1.857 -2.477 -1.128 406 HA THR 51 HA THR 51 4.248 -4.260 -1.382 407 HB THR 51 HB THR 51 3.160 -5.104 0.593 408 HG1 THR 51 HG1 THR 51 2.508 -6.537 -1.756 409 HG21 THR 51 HG21 THR 51 1.001 -3.946 0.234 410 HG22 THR 51 HG22 THR 51 0.779 -5.646 0.646 411 HG23 THR 51 HG23 THR 51 0.602 -5.113 -1.026 412 H ILE 52 HN ILE 52 4.377 -5.211 -3.302 413 HA ILE 52 HA ILE 52 2.082 -4.928 -5.213 414 HB ILE 52 HB ILE 52 5.026 -5.415 -5.758 415 HG12 ILE 52 HG12 ILE 52 3.345 -2.944 -6.266 416 HG13 ILE 52 HG11 ILE 52 4.369 -3.144 -4.847 417 HG21 ILE 52 HG21 ILE 52 3.775 -6.380 -7.547 418 HG22 ILE 52 HG22 ILE 52 4.251 -4.782 -8.119 419 HG23 ILE 52 HG23 ILE 52 2.608 -5.056 -7.541 420 HD11 ILE 52 HD11 ILE 52 6.353 -3.164 -6.133 421 HD12 ILE 52 HD12 ILE 52 5.377 -1.898 -6.875 422 HD13 ILE 52 HD13 ILE 52 5.482 -3.486 -7.633 423 H TRP 53 HN TRP 53 1.024 -6.755 -5.868 424 HA TRP 53 HA TRP 53 2.105 -9.376 -4.992 425 HB2 TRP 53 HB2 TRP 53 -0.604 -8.483 -6.009 426 HB3 TRP 53 HB1 TRP 53 -0.205 -10.158 -5.625 427 HD1 TRP 53 HD1 TRP 53 -0.220 -6.689 -3.921 428 HE1 TRP 53 HE1 TRP 53 -0.690 -7.032 -1.409 429 HE3 TRP 53 HE3 TRP 53 -0.347 -11.789 -3.738 430 HZ2 TRP 53 HZ2 TRP 53 -1.073 -9.188 0.434 431 HZ3 TRP 53 HZ3 TRP 53 -0.768 -12.962 -1.595 432 HH2 TRP 53 HH2 TRP 53 -1.131 -11.669 0.489 433 H LYS 54 HN LYS 54 2.404 -11.091 -6.446 434 HA LYS 54 HA LYS 54 3.276 -10.406 -9.102 435 HB2 LYS 54 HB2 LYS 54 4.017 -12.394 -7.618 436 HB3 LYS 54 HB1 LYS 54 2.559 -13.198 -8.194 437 HG2 LYS 54 HG2 LYS 54 4.101 -13.917 -9.789 438 HG3 LYS 54 HG1 LYS 54 3.459 -12.481 -10.583 439 HD2 LYS 54 HD2 LYS 54 5.360 -11.153 -9.771 440 HD3 LYS 54 HD1 LYS 54 5.982 -12.552 -8.895 441 HE2 LYS 54 HE2 LYS 54 6.238 -13.775 -11.019 442 HE3 LYS 54 HE1 LYS 54 5.608 -12.383 -11.899 443 HZ1 LYS 54 HZ1 LYS 54 8.223 -12.845 -11.268 444 HZ2 LYS 54 HZ2 LYS 54 7.740 -11.673 -10.137 445 HZ3 LYS 54 HZ3 LYS 54 7.568 -11.375 -11.802 446 H ASN 55 HN ASN 55 0.208 -11.212 -7.764 447 HA ASN 55 HA ASN 55 -1.068 -12.396 -10.015 448 HB2 ASN 55 HB2 ASN 55 -2.149 -10.671 -7.773 449 HB3 ASN 55 HB1 ASN 55 -3.181 -11.451 -8.972 450 HD21 ASN 55 HD21 ASN 55 -3.274 -12.126 -6.156 451 HD22 ASN 55 HD22 ASN 55 -2.747 -13.731 -5.992 452 H ALA 56 HN ALA 56 -0.379 -9.010 -9.247 453 HA ALA 56 HA ALA 56 -2.008 -8.024 -11.475 454 HB1 ALA 56 HB1 ALA 56 -1.767 -6.540 -9.597 455 HB2 ALA 56 HB2 ALA 56 -0.842 -5.837 -10.923 456 HB3 ALA 56 HB3 ALA 56 -0.011 -6.695 -9.626 457 H GLU 57 HN GLU 57 1.205 -9.228 -11.016 458 HA GLU 57 HA GLU 57 3.012 -9.451 -12.467 459 HB2 GLU 57 HB2 GLU 57 0.798 -9.062 -14.504 460 HB3 GLU 57 HB1 GLU 57 2.445 -9.532 -14.912 461 HG2 GLU 57 HG2 GLU 57 2.254 -11.546 -13.550 462 HG3 GLU 57 HG1 GLU 57 0.645 -11.061 -13.012 463 H LEU 58 HN LEU 58 3.295 -7.146 -11.366 464 HA LEU 58 HA LEU 58 3.514 -5.056 -13.506 465 HB2 LEU 58 HB2 LEU 58 3.689 -4.643 -10.512 466 HB3 LEU 58 HB1 LEU 58 3.458 -3.414 -11.753 467 HG LEU 58 HG LEU 58 1.503 -5.619 -11.046 468 HD11 LEU 58 HD11 LEU 58 1.403 -3.943 -9.355 469 HD12 LEU 58 HD12 LEU 58 0.082 -3.568 -10.460 470 HD13 LEU 58 HD13 LEU 58 1.580 -2.641 -10.531 471 HD21 LEU 58 HD21 LEU 58 0.023 -4.159 -12.617 472 HD22 LEU 58 HD22 LEU 58 1.197 -5.244 -13.360 473 HD23 LEU 58 HD23 LEU 58 1.554 -3.521 -13.221 474 HA PRO 59 HA PRO 59 7.944 -5.514 -13.299 475 HB2 PRO 59 HB2 PRO 59 8.769 -3.002 -14.047 476 HB3 PRO 59 HB1 PRO 59 8.087 -4.180 -15.186 477 HG2 PRO 59 HG2 PRO 59 6.750 -1.875 -13.829 478 HG3 PRO 59 HG1 PRO 59 6.620 -2.420 -15.512 479 HD2 PRO 59 HD2 PRO 59 4.718 -3.008 -13.660 480 HD3 PRO 59 HD1 PRO 59 5.111 -4.117 -14.990 481 H LEU 60 HN LEU 60 9.872 -4.746 -12.104 482 HA LEU 60 HA LEU 60 9.233 -4.008 -9.387 483 HB2 LEU 60 HB2 LEU 60 11.935 -4.084 -10.762 484 HB3 LEU 60 HB1 LEU 60 11.646 -4.117 -9.022 485 HG LEU 60 HG LEU 60 10.672 -6.214 -10.985 486 HD11 LEU 60 HD11 LEU 60 12.874 -6.408 -8.909 487 HD12 LEU 60 HD12 LEU 60 13.162 -6.144 -10.630 488 HD13 LEU 60 HD13 LEU 60 12.407 -7.641 -10.081 489 HD21 LEU 60 HD21 LEU 60 10.374 -5.812 -8.010 490 HD22 LEU 60 HD22 LEU 60 10.411 -7.448 -8.668 491 HD23 LEU 60 HD23 LEU 60 9.165 -6.319 -9.190 492 H LEU 61 HN LEU 61 9.581 -2.072 -8.318 493 HA LEU 61 HA LEU 61 9.683 0.345 -9.996 494 HB2 LEU 61 HB2 LEU 61 9.178 -0.200 -7.069 495 HB3 LEU 61 HB1 LEU 61 9.446 1.442 -7.648 496 HG LEU 61 HG LEU 61 7.585 1.191 -9.249 497 HD11 LEU 61 HD11 LEU 61 7.477 -1.579 -8.043 498 HD12 LEU 61 HD12 LEU 61 7.574 -1.133 -9.747 499 HD13 LEU 61 HD13 LEU 61 6.084 -0.861 -8.849 500 HD21 LEU 61 HD21 LEU 61 6.710 0.343 -6.473 501 HD22 LEU 61 HD22 LEU 61 5.791 1.296 -7.638 502 HD23 LEU 61 HD23 LEU 61 7.221 1.984 -6.868 503 H GLU 62 HN GLU 62 11.320 1.962 -9.827 504 HA GLU 62 HA GLU 62 13.948 0.932 -8.886 505 HB2 GLU 62 HB2 GLU 62 13.756 1.860 -11.185 506 HB3 GLU 62 HB1 GLU 62 13.278 3.413 -10.500 507 HG2 GLU 62 HG2 GLU 62 15.418 3.609 -9.344 508 HG3 GLU 62 HG1 GLU 62 15.898 2.006 -9.903 509 H GLN 63 HN GLN 63 14.986 1.789 -7.136 510 HA GLN 63 HA GLN 63 13.543 3.489 -5.310 511 HB2 GLN 63 HB2 GLN 63 15.202 1.811 -4.562 512 HB3 GLN 63 HB1 GLN 63 16.485 2.769 -5.304 513 HG2 GLN 63 HG2 GLN 63 16.030 4.636 -3.828 514 HG3 GLN 63 HG1 GLN 63 14.605 3.827 -3.175 515 HE21 GLN 63 HE21 GLN 63 16.692 4.617 -1.422 516 HE22 GLN 63 HE22 GLN 63 17.475 3.231 -0.833 517 H GLY 64 HN GLY 64 13.674 5.690 -4.973 518 HA2 GLY 64 HA2 GLY 64 14.678 7.857 -5.089 519 HA3 GLY 64 HA1 GLY 64 15.833 7.245 -6.271 520 H GLU 65 HN GLU 65 13.199 5.997 -7.538 521 HA GLU 65 HA GLU 65 12.712 8.373 -9.267 522 HB2 GLU 65 HB2 GLU 65 12.103 5.428 -9.643 523 HB3 GLU 65 HB1 GLU 65 11.695 6.686 -10.810 524 HG2 GLU 65 HG2 GLU 65 14.504 6.130 -9.804 525 HG3 GLU 65 HG1 GLU 65 13.855 5.531 -11.331 526 H SER 66 HN SER 66 10.559 8.848 -9.962 527 HA SER 66 HA SER 66 8.548 8.499 -7.797 528 HB2 SER 66 HB2 SER 66 7.284 10.242 -9.190 529 HB3 SER 66 HB1 SER 66 8.782 10.783 -8.437 530 HG SER 66 HG SER 66 9.766 10.114 -10.523 531 H TYR 67 HN TYR 67 6.543 7.515 -8.169 532 HA TYR 67 HA TYR 67 6.067 6.357 -10.886 533 HB2 TYR 67 HB2 TYR 67 6.050 4.889 -8.241 534 HB3 TYR 67 HB1 TYR 67 5.243 4.266 -9.680 535 HD1 TYR 67 HD1 TYR 67 6.590 3.847 -11.772 536 HD2 TYR 67 HD2 TYR 67 8.415 4.738 -7.990 537 HE1 TYR 67 HE1 TYR 67 8.751 2.960 -12.608 538 HE2 TYR 67 HE2 TYR 67 10.572 3.852 -8.823 539 HH TYR 67 HH TYR 67 10.821 2.142 -11.844 540 H LEU 68 HN LEU 68 3.908 5.938 -11.351 541 HA LEU 68 HA LEU 68 1.959 7.516 -9.714 542 HB2 LEU 68 HB2 LEU 68 2.358 7.690 -12.375 543 HB3 LEU 68 HB1 LEU 68 1.222 6.358 -12.392 544 HG LEU 68 HG LEU 68 -0.132 8.267 -12.627 545 HD11 LEU 68 HD11 LEU 68 -0.254 8.005 -9.627 546 HD12 LEU 68 HD12 LEU 68 -0.757 6.684 -10.680 547 HD13 LEU 68 HD13 LEU 68 -1.564 8.239 -10.778 548 HD21 LEU 68 HD21 LEU 68 1.833 9.542 -10.760 549 HD22 LEU 68 HD22 LEU 68 0.185 10.163 -10.752 550 HD23 LEU 68 HD23 LEU 68 1.118 10.160 -12.245 551 H LEU 69 HN LEU 69 0.406 6.412 -8.580 552 HA LEU 69 HA LEU 69 0.223 3.449 -8.974 553 HB2 LEU 69 HB2 LEU 69 -0.308 5.284 -6.629 554 HB3 LEU 69 HB1 LEU 69 -0.712 3.571 -6.612 555 HG LEU 69 HG LEU 69 2.090 4.439 -7.323 556 HD11 LEU 69 HD11 LEU 69 2.475 3.970 -4.730 557 HD12 LEU 69 HD12 LEU 69 0.800 4.517 -4.606 558 HD13 LEU 69 HD13 LEU 69 2.026 5.575 -5.302 559 HD21 LEU 69 HD21 LEU 69 2.633 2.239 -6.308 560 HD22 LEU 69 HD22 LEU 69 1.447 2.065 -7.599 561 HD23 LEU 69 HD23 LEU 69 0.931 2.004 -5.915 562 H ARG 70 HN ARG 70 -1.524 3.157 -10.398 563 HA ARG 70 HA ARG 70 -4.016 4.746 -9.871 564 HB2 ARG 70 HB2 ARG 70 -3.182 3.177 -12.325 565 HB3 ARG 70 HB1 ARG 70 -4.685 4.082 -12.151 566 HG2 ARG 70 HG2 ARG 70 -3.325 6.148 -11.728 567 HG3 ARG 70 HG1 ARG 70 -1.877 5.210 -12.091 568 HD2 ARG 70 HD2 ARG 70 -4.209 5.540 -13.996 569 HD3 ARG 70 HD1 ARG 70 -2.729 6.494 -14.064 570 HE ARG 70 HE ARG 70 -3.028 3.764 -14.995 571 HH11 ARG 70 HH21 ARG 70 -0.921 6.073 -13.548 572 HH12 ARG 70 HH22 ARG 70 0.525 5.336 -14.154 573 HH21 ARG 70 HH11 ARG 70 -1.153 2.786 -15.801 574 HH22 ARG 70 HH12 ARG 70 0.393 3.473 -15.431 575 H SER 71 HN SER 71 -5.814 3.752 -9.175 576 HA SER 71 HA SER 71 -7.337 2.088 -8.610 577 HB2 SER 71 HB2 SER 71 -5.744 0.030 -10.100 578 HB3 SER 71 HB1 SER 71 -7.487 0.184 -9.942 579 HG SER 71 HG SER 71 -5.690 1.701 -11.513 580 H VAL 72 HN VAL 72 -5.767 2.603 -6.570 581 HA VAL 72 HA VAL 72 -4.667 -0.036 -5.630 582 HB VAL 72 HB VAL 72 -3.437 1.387 -3.933 583 HG11 VAL 72 HG11 VAL 72 -2.706 2.201 -6.750 584 HG12 VAL 72 HG12 VAL 72 -2.511 0.537 -6.201 585 HG13 VAL 72 HG13 VAL 72 -1.638 1.836 -5.395 586 HG21 VAL 72 HG21 VAL 72 -3.243 3.777 -4.371 587 HG22 VAL 72 HG22 VAL 72 -4.948 3.369 -4.184 588 HG23 VAL 72 HG23 VAL 72 -4.276 3.633 -5.793 589 H VAL 73 HN VAL 73 -5.035 -0.523 -3.368 590 HA VAL 73 HA VAL 73 -7.545 0.715 -2.260 591 HB VAL 73 HB VAL 73 -8.124 -1.462 -3.128 592 HG11 VAL 73 HG11 VAL 73 -6.882 -3.494 -2.287 593 HG12 VAL 73 HG12 VAL 73 -5.671 -2.399 -1.619 594 HG13 VAL 73 HG13 VAL 73 -5.944 -2.458 -3.361 595 HG21 VAL 73 HG21 VAL 73 -8.863 -0.774 -0.760 596 HG22 VAL 73 HG22 VAL 73 -7.645 -1.907 -0.173 597 HG23 VAL 73 HG23 VAL 73 -8.988 -2.487 -1.160 598 H VAL 74 HN VAL 74 -7.673 0.789 0.022 599 HA VAL 74 HA VAL 74 -5.019 0.877 1.365 600 HB VAL 74 HB VAL 74 -7.765 1.856 2.214 601 HG11 VAL 74 HG11 VAL 74 -6.447 3.055 3.996 602 HG12 VAL 74 HG12 VAL 74 -5.052 2.078 3.543 603 HG13 VAL 74 HG13 VAL 74 -6.495 1.306 4.197 604 HG21 VAL 74 HG21 VAL 74 -5.289 3.415 1.419 605 HG22 VAL 74 HG22 VAL 74 -6.896 4.065 1.743 606 HG23 VAL 74 HG23 VAL 74 -6.621 3.064 0.317 607 H GLY 75 HN GLY 75 -4.436 -0.644 2.901 608 HA2 GLY 75 HA2 GLY 75 -6.512 -2.643 3.740 609 HA3 GLY 75 HA1 GLY 75 -4.796 -3.004 3.563 610 H GLU 76 HN GLU 76 -6.495 -3.277 5.986 611 HA GLU 76 HA GLU 76 -5.346 -1.199 7.787 612 HB2 GLU 76 HB2 GLU 76 -7.808 -1.843 7.860 613 HB3 GLU 76 HB1 GLU 76 -7.298 -3.416 8.471 614 HG2 GLU 76 HG2 GLU 76 -6.465 -0.823 9.791 615 HG3 GLU 76 HG1 GLU 76 -7.940 -1.679 10.235 616 H TYR 77 HN TYR 77 -3.177 -1.931 7.926 617 HA TYR 77 HA TYR 77 -2.754 -4.670 9.082 618 HB2 TYR 77 HB2 TYR 77 -1.576 -4.359 6.988 619 HB3 TYR 77 HB1 TYR 77 -0.904 -2.826 7.541 620 HD1 TYR 77 HD1 TYR 77 -0.912 -6.501 8.183 621 HD2 TYR 77 HD2 TYR 77 1.069 -2.749 8.866 622 HE1 TYR 77 HE1 TYR 77 1.018 -7.700 9.179 623 HE2 TYR 77 HE2 TYR 77 2.997 -3.949 9.860 624 HH TYR 77 HH TYR 77 2.906 -6.999 10.941 625 H ASN 78 HN ASN 78 -2.429 -4.632 11.239 626 HA ASN 78 HA ASN 78 -1.740 -3.921 13.364 627 HB2 ASN 78 HB2 ASN 78 0.475 -4.147 12.179 628 HB3 ASN 78 HB1 ASN 78 0.401 -2.417 11.842 629 HD21 ASN 78 HD21 ASN 78 0.793 -4.814 14.421 630 HD22 ASN 78 HD22 ASN 78 1.268 -3.708 15.618 631 H ASP 79 HN ASP 79 -3.859 -2.483 12.639 632 HA ASP 79 HA ASP 79 -4.985 -0.462 12.969 633 HB2 ASP 79 HB2 ASP 79 -2.567 -0.040 14.745 634 HB3 ASP 79 HB1 ASP 79 -3.923 1.080 14.676 635 H ARG 80 HN ARG 80 -2.114 -0.588 11.273 636 HA ARG 80 HA ARG 80 -2.105 2.334 10.652 637 HB2 ARG 80 HB2 ARG 80 -0.134 0.111 10.063 638 HB3 ARG 80 HB1 ARG 80 0.027 1.746 9.423 639 HG2 ARG 80 HG2 ARG 80 -0.189 1.084 12.377 640 HG3 ARG 80 HG1 ARG 80 1.334 1.363 11.536 641 HD2 ARG 80 HD2 ARG 80 0.977 3.528 12.254 642 HD3 ARG 80 HD1 ARG 80 -0.002 3.614 10.793 643 HE ARG 80 HE ARG 80 -1.962 3.576 12.140 644 HH11 ARG 80 HH21 ARG 80 0.916 2.918 13.937 645 HH12 ARG 80 HH22 ARG 80 0.146 3.092 15.478 646 HH21 ARG 80 HH11 ARG 80 -2.973 3.806 14.145 647 HH22 ARG 80 HH12 ARG 80 -2.053 3.594 15.597 648 H PHE 81 HN PHE 81 -2.046 2.972 8.384 649 HA PHE 81 HA PHE 81 -3.746 1.190 6.698 650 HB2 PHE 81 HB2 PHE 81 -3.026 4.127 6.427 651 HB3 PHE 81 HB1 PHE 81 -4.091 3.244 5.336 652 HD1 PHE 81 HD1 PHE 81 -6.106 1.989 6.434 653 HD2 PHE 81 HD2 PHE 81 -3.928 5.170 8.331 654 HE1 PHE 81 HE1 PHE 81 -8.016 2.387 7.964 655 HE2 PHE 81 HE2 PHE 81 -5.839 5.567 9.860 656 HZ PHE 81 HZ PHE 81 -7.883 4.175 9.678 657 H GLN 82 HN GLN 82 -3.064 0.598 4.597 658 HA GLN 82 HA GLN 82 -0.347 1.445 3.725 659 HB2 GLN 82 HB2 GLN 82 -1.196 -1.440 4.122 660 HB3 GLN 82 HB1 GLN 82 0.281 -0.930 3.303 661 HG2 GLN 82 HG2 GLN 82 0.958 0.280 5.388 662 HG3 GLN 82 HG1 GLN 82 -0.459 -0.391 6.192 663 HE21 GLN 82 HE21 GLN 82 0.478 -2.720 4.012 664 HE22 GLN 82 HE22 GLN 82 1.484 -3.651 5.013 665 H VAL 83 HN VAL 83 0.011 1.054 1.443 666 HA VAL 83 HA VAL 83 -2.552 0.759 -0.090 667 HB VAL 83 HB VAL 83 -0.998 1.748 -1.961 668 HG11 VAL 83 HG11 VAL 83 -2.807 3.053 -1.088 669 HG12 VAL 83 HG12 VAL 83 -1.372 4.075 -0.992 670 HG13 VAL 83 HG13 VAL 83 -1.987 3.279 0.456 671 HG21 VAL 83 HG21 VAL 83 0.484 2.808 0.453 672 HG22 VAL 83 HG22 VAL 83 0.943 2.899 -1.248 673 HG23 VAL 83 HG23 VAL 83 1.035 1.363 -0.391 674 H GLN 84 HN GLN 84 -2.846 -1.216 -0.954 675 HA GLN 84 HA GLN 84 -0.450 -2.882 -1.643 676 HB2 GLN 84 HB2 GLN 84 -3.312 -3.836 -1.421 677 HB3 GLN 84 HB1 GLN 84 -1.831 -4.794 -1.348 678 HG2 GLN 84 HG2 GLN 84 -1.219 -3.560 0.757 679 HG3 GLN 84 HG1 GLN 84 -2.802 -2.791 0.707 680 HE21 GLN 84 HE21 GLN 84 -4.207 -3.831 2.106 681 HE22 GLN 84 HE22 GLN 84 -4.267 -5.505 2.372 682 H VAL 85 HN VAL 85 -0.025 -3.205 -3.780 683 HA VAL 85 HA VAL 85 -2.030 -2.301 -5.781 684 HB VAL 85 HB VAL 85 0.813 -3.259 -6.225 685 HG11 VAL 85 HG11 VAL 85 0.541 -1.915 -8.320 686 HG12 VAL 85 HG12 VAL 85 -1.154 -1.671 -7.895 687 HG13 VAL 85 HG13 VAL 85 -0.552 -3.295 -8.228 688 HG21 VAL 85 HG21 VAL 85 0.762 -1.309 -4.703 689 HG22 VAL 85 HG22 VAL 85 -0.250 -0.440 -5.855 690 HG23 VAL 85 HG23 VAL 85 1.408 -0.863 -6.282 691 H ASN 86 HN ASN 86 -3.306 -3.804 -6.778 692 HA ASN 86 HA ASN 86 -2.276 -6.513 -7.280 693 HB2 ASN 86 HB2 ASN 86 -4.383 -7.505 -6.218 694 HB3 ASN 86 HB1 ASN 86 -3.145 -6.928 -5.101 695 HD21 ASN 86 HD21 ASN 86 -3.543 -4.229 -4.934 696 HD22 ASN 86 HD22 ASN 86 -5.120 -3.869 -4.419 697 H LYS 87 HN LYS 87 -4.437 -7.780 -8.153 698 HA LYS 87 HA LYS 87 -5.886 -7.957 -9.986 699 HB2 LYS 87 HB2 LYS 87 -6.539 -5.053 -9.423 700 HB3 LYS 87 HB1 LYS 87 -7.571 -6.253 -10.196 701 HG2 LYS 87 HG2 LYS 87 -6.599 -6.427 -7.329 702 HG3 LYS 87 HG1 LYS 87 -8.183 -5.823 -7.812 703 HD2 LYS 87 HD2 LYS 87 -8.473 -8.076 -9.033 704 HD3 LYS 87 HD1 LYS 87 -7.084 -8.623 -8.093 705 HE2 LYS 87 HE2 LYS 87 -9.600 -7.433 -6.885 706 HE3 LYS 87 HE1 LYS 87 -9.274 -9.161 -7.003 707 HZ1 LYS 87 HZ1 LYS 87 -7.036 -8.373 -5.864 708 HZ2 LYS 87 HZ2 LYS 87 -8.416 -8.784 -4.962 709 HZ3 LYS 87 HZ3 LYS 87 -8.056 -7.153 -5.275 710 H ASN 88 HN ASN 88 -6.649 -5.757 -11.755 711 HA ASN 88 HA ASN 88 -4.289 -5.812 -13.495 712 HB2 ASN 88 HB2 ASN 88 -7.067 -4.659 -13.844 713 HB3 ASN 88 HB1 ASN 88 -5.817 -4.603 -15.087 714 HD21 ASN 88 HD21 ASN 88 -8.466 -6.167 -14.911 715 HD22 ASN 88 HD22 ASN 88 -8.018 -7.772 -15.233 716 H SER 89 HN SER 89 -4.279 -4.188 -10.972 717 HA SER 89 HA SER 89 -4.542 -1.438 -11.356 718 HB2 SER 89 HB2 SER 89 -2.504 -1.236 -9.825 719 HB3 SER 89 HB1 SER 89 -3.830 -2.220 -9.208 720 HG SER 89 HG SER 89 -2.598 -3.922 -9.332 721 H SER 90 HN SER 90 -2.618 0.177 -11.747 722 HA SER 90 HA SER 90 -0.752 -0.866 -13.839 723 HB2 SER 90 HB2 SER 90 -1.386 0.720 -15.445 724 HB3 SER 90 HB1 SER 90 -2.939 0.240 -14.769 725 HG SER 90 HG SER 90 -3.174 2.232 -14.182 726 H ILE 91 HN ILE 91 1.055 0.711 -14.235 727 HA ILE 91 HA ILE 91 1.415 2.719 -12.084 728 HB ILE 91 HB ILE 91 3.382 0.494 -12.698 729 HG12 ILE 91 HG12 ILE 91 2.096 1.292 -10.067 730 HG13 ILE 91 HG11 ILE 91 1.475 0.007 -11.100 731 HG21 ILE 91 HG21 ILE 91 4.730 1.674 -10.867 732 HG22 ILE 91 HG22 ILE 91 3.662 3.054 -11.110 733 HG23 ILE 91 HG23 ILE 91 4.679 2.483 -12.432 734 HD11 ILE 91 HD11 ILE 91 3.538 -1.242 -10.898 735 HD12 ILE 91 HD12 ILE 91 2.991 -0.820 -9.276 736 HD13 ILE 91 HD13 ILE 91 4.303 0.085 -10.029 737 H GLU 92 HN GLU 92 2.352 4.575 -12.885 738 HA GLU 92 HA GLU 92 3.707 4.396 -15.568 739 HB2 GLU 92 HB2 GLU 92 1.446 5.452 -15.714 740 HB3 GLU 92 HB1 GLU 92 1.976 6.674 -14.561 741 HG2 GLU 92 HG2 GLU 92 3.757 7.387 -16.084 742 HG3 GLU 92 HG1 GLU 92 3.298 6.129 -17.233 743 H LYS 93 HN LYS 93 5.761 5.099 -15.492 744 HA LYS 93 HA LYS 93 6.855 6.317 -13.089 745 HB2 LYS 93 HB2 LYS 93 8.115 4.737 -14.584 746 HB3 LYS 93 HB1 LYS 93 8.162 6.012 -15.802 747 HG2 LYS 93 HG2 LYS 93 9.407 7.467 -14.317 748 HG3 LYS 93 HG1 LYS 93 9.222 6.331 -12.983 749 HD2 LYS 93 HD2 LYS 93 11.438 6.020 -13.874 750 HD3 LYS 93 HD1 LYS 93 10.476 4.628 -14.369 751 HE2 LYS 93 HE2 LYS 93 10.258 5.435 -16.595 752 HE3 LYS 93 HE1 LYS 93 10.793 7.054 -16.145 753 HZ1 LYS 93 HZ1 LYS 93 12.573 4.748 -15.734 754 HZ2 LYS 93 HZ2 LYS 93 12.969 6.384 -15.968 755 HZ3 LYS 93 HZ3 LYS 93 12.435 5.440 -17.276 756 H LEU 94 HN LEU 94 7.440 8.479 -12.767 757 HA LEU 94 HA LEU 94 6.373 10.422 -14.762 758 HB2 LEU 94 HB2 LEU 94 6.952 10.515 -11.818 759 HB3 LEU 94 HB1 LEU 94 6.986 12.027 -12.718 760 HG LEU 94 HG LEU 94 4.759 11.504 -11.694 761 HD11 LEU 94 HD11 LEU 94 3.588 12.451 -13.438 762 HD12 LEU 94 HD12 LEU 94 4.281 11.379 -14.652 763 HD13 LEU 94 HD13 LEU 94 5.219 12.739 -14.035 764 HD21 LEU 94 HD21 LEU 94 4.526 9.350 -13.798 765 HD22 LEU 94 HD22 LEU 94 3.455 9.683 -12.440 766 HD23 LEU 94 HD23 LEU 94 5.050 8.993 -12.151 767 H SER 95 HN SER 95 7.665 11.958 -15.721 768 HA SER 95 HA SER 95 10.550 11.412 -15.760 769 HB2 SER 95 HB2 SER 95 10.606 13.008 -17.590 770 HB3 SER 95 HB1 SER 95 9.225 11.942 -17.827 771 HG SER 95 HG SER 95 8.105 13.701 -16.527 772 H GLU 96 HN GLU 96 8.555 13.234 -13.799 773 HA GLU 96 HA GLU 96 10.629 15.344 -13.323 774 HB2 GLU 96 HB2 GLU 96 8.231 16.023 -13.855 775 HB3 GLU 96 HB1 GLU 96 7.785 15.323 -12.300 776 HG2 GLU 96 HG2 GLU 96 9.364 16.828 -11.153 777 HG3 GLU 96 HG1 GLU 96 9.830 17.527 -12.705 778 HA PRO 97 HA PRO 97 11.331 13.026 -9.517 779 HB2 PRO 97 HB2 PRO 97 13.100 14.677 -8.292 780 HB3 PRO 97 HB1 PRO 97 13.543 13.717 -9.719 781 HG2 PRO 97 HG2 PRO 97 12.764 16.600 -9.554 782 HG3 PRO 97 HG1 PRO 97 14.081 15.843 -10.469 783 HD2 PRO 97 HD2 PRO 97 11.686 16.529 -11.616 784 HD3 PRO 97 HD1 PRO 97 12.678 15.173 -12.196 785 H ILE 98 HN ILE 98 10.794 13.175 -7.245 786 HA ILE 98 HA ILE 98 8.921 15.423 -6.589 787 HB ILE 98 HB ILE 98 9.091 12.585 -5.532 788 HG12 ILE 98 HG12 ILE 98 6.891 13.952 -7.105 789 HG13 ILE 98 HG11 ILE 98 8.146 12.965 -7.853 790 HG21 ILE 98 HG21 ILE 98 8.354 13.982 -3.720 791 HG22 ILE 98 HG22 ILE 98 6.907 13.237 -4.399 792 HG23 ILE 98 HG23 ILE 98 7.303 14.912 -4.786 793 HD11 ILE 98 HD11 ILE 98 6.178 11.581 -7.464 794 HD12 ILE 98 HD12 ILE 98 6.145 12.055 -5.766 795 HD13 ILE 98 HD13 ILE 98 7.468 11.064 -6.378 796 H GLU 99 HN GLU 99 9.411 16.706 -4.847 797 HA GLU 99 HA GLU 99 11.993 16.234 -3.488 798 HB2 GLU 99 HB2 GLU 99 11.421 18.498 -4.324 799 HB3 GLU 99 HB1 GLU 99 10.028 18.534 -3.242 800 HG2 GLU 99 HG2 GLU 99 11.504 18.343 -1.290 801 HG3 GLU 99 HG1 GLU 99 12.912 18.226 -2.347 802 H VAL 100 HN VAL 100 12.100 15.238 -1.553 803 HA VAL 100 HA VAL 100 9.652 15.169 0.188 804 HB VAL 100 HB VAL 100 10.580 13.038 1.081 805 HG11 VAL 100 HG11 VAL 100 8.928 13.052 -0.778 806 HG12 VAL 100 HG12 VAL 100 10.024 11.674 -0.878 807 HG13 VAL 100 HG13 VAL 100 10.258 13.065 -1.937 808 HG21 VAL 100 HG21 VAL 100 12.948 13.433 0.584 809 HG22 VAL 100 HG22 VAL 100 12.605 13.431 -1.146 810 HG23 VAL 100 HG23 VAL 100 12.415 11.950 -0.208 811 H GLY 101 HN GLY 101 12.768 16.366 -0.169 812 HA2 GLY 101 HA2 GLY 101 13.405 16.376 2.721 813 HA3 GLY 101 HA1 GLY 101 14.438 16.989 1.427 814 H LEU 102 HN LEU 102 12.581 17.972 3.948 815 HA LEU 102 HA LEU 102 11.660 20.496 2.673 816 HB2 LEU 102 HB2 LEU 102 11.190 19.448 5.484 817 HB3 LEU 102 HB1 LEU 102 10.394 20.833 4.734 818 HG LEU 102 HG LEU 102 10.219 17.970 3.740 819 HD11 LEU 102 HD11 LEU 102 7.902 18.053 4.545 820 HD12 LEU 102 HD12 LEU 102 8.154 19.692 5.145 821 HD13 LEU 102 HD13 LEU 102 9.023 18.342 5.876 822 HD21 LEU 102 HD21 LEU 102 8.236 19.128 2.443 823 HD22 LEU 102 HD22 LEU 102 9.878 19.285 1.828 824 HD23 LEU 102 HD23 LEU 102 9.149 20.608 2.739 825 H GLU 103 HN GLU 103 13.224 21.983 2.610 826 HA GLU 103 HA GLU 103 15.567 22.042 4.220 827 HB2 GLU 103 HB2 GLU 103 14.176 24.250 2.679 828 HB3 GLU 103 HB1 GLU 103 15.784 24.405 3.389 829 HG2 GLU 103 HG2 GLU 103 16.604 22.548 2.027 830 HG3 GLU 103 HG1 GLU 103 14.988 22.290 1.366 831 H HIS 104 HN HIS 104 16.065 23.100 6.134 832 HA HIS 104 HA HIS 104 14.001 23.618 8.023 833 HB2 HIS 104 HB2 HIS 104 16.861 24.638 7.970 834 HB3 HIS 104 HB1 HIS 104 15.797 24.686 9.376 835 HD1 HIS 104 HD1 HIS 104 14.746 22.149 9.956 836 HD2 HIS 104 HD2 HIS 104 18.372 22.342 7.907 837 HE1 HIS 104 HE1 HIS 104 15.855 19.890 10.247 838 H HIS 105 HN HIS 105 16.280 26.208 7.286 839 HA HIS 105 HA HIS 105 14.208 27.950 6.168 840 HB2 HIS 105 HB2 HIS 105 14.420 29.646 7.982 841 HB3 HIS 105 HB1 HIS 105 13.693 28.144 8.554 842 HD1 HIS 105 HD1 HIS 105 17.085 27.297 8.111 843 HD2 HIS 105 HD2 HIS 105 15.070 29.520 11.003 844 HE1 HIS 105 HE1 HIS 105 18.593 27.360 10.145 845 H HIS 106 HN HIS 106 15.144 29.996 5.433 846 HA HIS 106 HA HIS 106 18.060 29.740 4.890 847 HB2 HIS 106 HB2 HIS 106 15.969 31.596 3.708 848 HB3 HIS 106 HB1 HIS 106 17.650 31.482 3.186 849 HD1 HIS 106 HD1 HIS 106 18.400 29.046 2.262 850 HD2 HIS 106 HD2 HIS 106 14.292 29.705 2.543 851 HE1 HIS 106 HE1 HIS 106 17.289 27.254 0.858 852 H HIS 107 HN HIS 107 16.676 30.722 7.451 853 HA HIS 107 HA HIS 107 17.068 33.520 7.753 854 HB2 HIS 107 HB2 HIS 107 15.864 32.059 9.379 855 HB3 HIS 107 HB1 HIS 107 17.412 31.368 9.862 856 HD1 HIS 107 HD1 HIS 107 19.184 33.111 10.903 857 HD2 HIS 107 HD2 HIS 107 15.257 34.481 10.615 858 HE1 HIS 107 HE1 HIS 107 19.020 35.141 12.410 859 H HIS 108 HN HIS 108 19.316 30.799 8.242 860 HA HIS 108 HA HIS 108 21.476 32.420 9.234 861 HB2 HIS 108 HB2 HIS 108 21.311 29.917 9.462 862 HB3 HIS 108 HB1 HIS 108 21.681 29.788 7.742 863 HD1 HIS 108 HD1 HIS 108 24.102 30.146 7.016 864 HD2 HIS 108 HD2 HIS 108 23.497 30.950 11.062 865 HE1 HIS 108 HE1 HIS 108 26.400 30.442 8.040 866 H HIS 109 HN HIS 109 22.805 33.765 8.120 867 HA HIS 109 HA HIS 109 22.564 33.881 5.166 868 HB2 HIS 109 HB2 HIS 109 23.962 35.683 7.167 869 HB3 HIS 109 HB1 HIS 109 23.912 35.972 5.427 870 HD1 HIS 109 HD1 HIS 109 21.773 36.028 8.505 871 HD2 HIS 109 HD2 HIS 109 21.362 36.783 4.425 872 HE1 HIS 109 HE1 HIS 109 19.530 37.168 8.209 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -6.619 11.647 -17.290 2 H2 MET 1 HT2 MET 1 -6.478 10.061 -17.881 3 H3 MET 1 HT3 MET 1 -6.589 10.341 -16.209 4 HA MET 1 HA MET 1 -8.737 11.059 -18.119 5 HB2 MET 1 HB2 MET 1 -8.317 8.545 -16.477 6 HB3 MET 1 HB1 MET 1 -9.869 8.998 -17.185 7 HG2 MET 1 HG2 MET 1 -8.889 8.984 -19.427 8 HG3 MET 1 HG1 MET 1 -7.298 8.634 -18.754 9 HE1 MET 1 HE1 MET 1 -10.978 6.002 -19.102 10 HE2 MET 1 HE2 MET 1 -10.848 7.758 -19.111 11 HE3 MET 1 HE3 MET 1 -10.868 6.892 -17.577 12 H GLU 2 HN GLU 2 -7.618 12.647 -16.025 13 HA GLU 2 HA GLU 2 -8.183 13.740 -14.029 14 HB2 GLU 2 HB2 GLU 2 -10.960 13.125 -15.085 15 HB3 GLU 2 HB1 GLU 2 -10.560 14.362 -13.893 16 HG2 GLU 2 HG2 GLU 2 -9.160 15.531 -15.520 17 HG3 GLU 2 HG1 GLU 2 -9.452 14.266 -16.714 18 HA PRO 3 HA PRO 3 -9.301 9.670 -11.928 19 HB2 PRO 3 HB2 PRO 3 -6.863 9.153 -10.798 20 HB3 PRO 3 HB1 PRO 3 -7.313 8.589 -12.420 21 HG2 PRO 3 HG2 PRO 3 -5.652 10.943 -11.627 22 HG3 PRO 3 HG1 PRO 3 -5.407 9.787 -12.948 23 HD2 PRO 3 HD2 PRO 3 -6.476 12.281 -13.344 24 HD3 PRO 3 HD1 PRO 3 -6.889 10.883 -14.361 25 H GLN 4 HN GLN 4 -9.461 9.351 -9.594 26 HA GLN 4 HA GLN 4 -9.625 11.890 -8.145 27 HB2 GLN 4 HB2 GLN 4 -10.244 9.024 -7.371 28 HB3 GLN 4 HB1 GLN 4 -10.511 10.407 -6.307 29 HG2 GLN 4 HG2 GLN 4 -12.602 10.001 -7.406 30 HG3 GLN 4 HG1 GLN 4 -11.909 11.423 -8.185 31 HE21 GLN 4 HE21 GLN 4 -12.674 11.170 -10.328 32 HE22 GLN 4 HE22 GLN 4 -12.359 9.805 -11.287 33 H LEU 5 HN LEU 5 -7.780 12.712 -7.305 34 HA LEU 5 HA LEU 5 -5.604 10.915 -6.416 35 HB2 LEU 5 HB2 LEU 5 -5.746 13.944 -6.458 36 HB3 LEU 5 HB1 LEU 5 -4.299 12.966 -6.209 37 HG LEU 5 HG LEU 5 -6.009 12.949 -8.714 38 HD11 LEU 5 HD11 LEU 5 -4.638 15.038 -8.282 39 HD12 LEU 5 HD12 LEU 5 -4.228 14.176 -9.765 40 HD13 LEU 5 HD13 LEU 5 -3.199 14.018 -8.341 41 HD21 LEU 5 HD21 LEU 5 -5.032 10.816 -8.648 42 HD22 LEU 5 HD22 LEU 5 -3.587 11.390 -7.814 43 HD23 LEU 5 HD23 LEU 5 -3.812 11.733 -9.529 44 H THR 6 HN THR 6 -5.153 10.520 -4.318 45 HA THR 6 HA THR 6 -6.593 12.101 -2.211 46 HB THR 6 HB THR 6 -6.062 9.115 -2.196 47 HG1 THR 6 HG1 THR 6 -8.404 10.662 -2.602 48 HG21 THR 6 HG21 THR 6 -6.028 10.021 0.041 49 HG22 THR 6 HG22 THR 6 -7.593 9.241 -0.196 50 HG23 THR 6 HG23 THR 6 -7.461 10.998 -0.283 51 H LYS 7 HN LYS 7 -5.418 12.492 -0.321 52 HA LYS 7 HA LYS 7 -2.481 12.196 -0.603 53 HB2 LYS 7 HB2 LYS 7 -4.130 13.719 1.434 54 HB3 LYS 7 HB1 LYS 7 -2.386 13.840 1.208 55 HG2 LYS 7 HG2 LYS 7 -4.440 14.509 -0.918 56 HG3 LYS 7 HG1 LYS 7 -3.648 15.702 0.110 57 HD2 LYS 7 HD2 LYS 7 -1.426 14.665 -0.767 58 HD3 LYS 7 HD1 LYS 7 -2.431 13.957 -2.031 59 HE2 LYS 7 HE2 LYS 7 -3.247 16.183 -2.658 60 HE3 LYS 7 HE1 LYS 7 -2.260 16.909 -1.388 61 HZ1 LYS 7 HZ1 LYS 7 -1.500 16.077 -3.995 62 HZ2 LYS 7 HZ2 LYS 7 -0.556 15.294 -2.819 63 HZ3 LYS 7 HZ3 LYS 7 -0.627 16.991 -2.864 64 H ILE 8 HN ILE 8 -1.208 11.183 0.943 65 HA ILE 8 HA ILE 8 -2.198 8.865 2.199 66 HB ILE 8 HB ILE 8 0.240 10.554 2.824 67 HG12 ILE 8 HG12 ILE 8 0.035 7.901 1.371 68 HG13 ILE 8 HG11 ILE 8 0.015 9.456 0.544 69 HG21 ILE 8 HG21 ILE 8 -0.591 7.834 3.852 70 HG22 ILE 8 HG22 ILE 8 -0.157 9.260 4.794 71 HG23 ILE 8 HG23 ILE 8 1.079 8.395 3.883 72 HD11 ILE 8 HD11 ILE 8 2.294 8.735 0.499 73 HD12 ILE 8 HD12 ILE 8 2.251 8.269 2.197 74 HD13 ILE 8 HD13 ILE 8 2.211 9.971 1.751 75 H VAL 9 HN VAL 9 -1.601 12.086 3.553 76 HA VAL 9 HA VAL 9 -2.371 11.443 6.247 77 HB VAL 9 HB VAL 9 -1.090 13.482 5.583 78 HG11 VAL 9 HG11 VAL 9 -3.766 14.553 4.656 79 HG12 VAL 9 HG12 VAL 9 -2.551 13.914 3.549 80 HG13 VAL 9 HG13 VAL 9 -2.191 15.335 4.529 81 HG21 VAL 9 HG21 VAL 9 -2.488 13.261 7.732 82 HG22 VAL 9 HG22 VAL 9 -3.682 14.279 6.926 83 HG23 VAL 9 HG23 VAL 9 -2.060 14.897 7.232 84 H ASP 10 HN ASP 10 -4.195 11.511 3.438 85 HA ASP 10 HA ASP 10 -6.722 12.271 4.849 86 HB2 ASP 10 HB2 ASP 10 -6.146 13.364 2.653 87 HB3 ASP 10 HB1 ASP 10 -6.267 11.778 1.891 88 H ILE 11 HN ILE 11 -4.941 9.587 4.511 89 HA ILE 11 HA ILE 11 -7.073 7.750 3.625 90 HB ILE 11 HB ILE 11 -4.246 7.283 4.624 91 HG12 ILE 11 HG12 ILE 11 -5.468 6.916 1.867 92 HG13 ILE 11 HG11 ILE 11 -4.543 8.336 2.356 93 HG21 ILE 11 HG21 ILE 11 -4.674 4.931 3.735 94 HG22 ILE 11 HG22 ILE 11 -6.386 5.349 3.704 95 HG23 ILE 11 HG23 ILE 11 -5.507 5.338 5.233 96 HD11 ILE 11 HD11 ILE 11 -3.578 5.481 2.140 97 HD12 ILE 11 HD12 ILE 11 -2.663 6.726 2.989 98 HD13 ILE 11 HD13 ILE 11 -2.986 6.889 1.261 99 H VAL 12 HN VAL 12 -8.616 7.190 5.067 100 HA VAL 12 HA VAL 12 -7.815 6.356 7.782 101 HB VAL 12 HB VAL 12 -9.591 7.749 8.848 102 HG11 VAL 12 HG11 VAL 12 -7.139 8.411 8.660 103 HG12 VAL 12 HG12 VAL 12 -8.264 9.742 8.928 104 HG13 VAL 12 HG13 VAL 12 -7.613 9.450 7.317 105 HG21 VAL 12 HG21 VAL 12 -9.677 9.063 6.108 106 HG22 VAL 12 HG22 VAL 12 -10.464 9.686 7.556 107 HG23 VAL 12 HG23 VAL 12 -10.988 8.153 6.860 108 H GLU 13 HN GLU 13 -9.389 5.676 5.036 109 HA GLU 13 HA GLU 13 -11.459 4.008 6.437 110 HB2 GLU 13 HB2 GLU 13 -12.476 5.868 5.125 111 HB3 GLU 13 HB1 GLU 13 -11.679 5.249 3.677 112 HG2 GLU 13 HG2 GLU 13 -12.865 3.122 3.894 113 HG3 GLU 13 HG1 GLU 13 -13.615 3.671 5.393 114 H ASN 14 HN ASN 14 -11.039 1.880 6.188 115 HA ASN 14 HA ASN 14 -9.029 0.976 4.271 116 HB2 ASN 14 HB2 ASN 14 -8.995 -0.063 6.439 117 HB3 ASN 14 HB1 ASN 14 -10.716 -0.441 6.353 118 HD21 ASN 14 HD21 ASN 14 -8.448 -0.858 3.637 119 HD22 ASN 14 HD22 ASN 14 -8.564 -2.547 3.592 120 H GLY 15 HN GLY 15 -9.415 -0.536 2.582 121 HA2 GLY 15 HA2 GLY 15 -10.661 -1.667 0.946 122 HA3 GLY 15 HA1 GLY 15 -12.110 -1.406 1.920 123 H GLN 16 HN GLN 16 -10.176 1.364 1.263 124 HA GLN 16 HA GLN 16 -12.332 2.420 -0.492 125 HB2 GLN 16 HB2 GLN 16 -11.668 3.779 1.447 126 HB3 GLN 16 HB1 GLN 16 -10.007 3.831 0.851 127 HG2 GLN 16 HG2 GLN 16 -10.686 5.038 -1.132 128 HG3 GLN 16 HG1 GLN 16 -12.391 4.826 -0.732 129 HE21 GLN 16 HE21 GLN 16 -10.024 7.131 -0.659 130 HE22 GLN 16 HE22 GLN 16 -10.556 8.053 0.664 131 H TRP 17 HN TRP 17 -11.937 3.167 -2.564 132 HA TRP 17 HA TRP 17 -9.370 2.275 -3.807 133 HB2 TRP 17 HB2 TRP 17 -12.102 2.897 -4.964 134 HB3 TRP 17 HB1 TRP 17 -10.683 2.545 -5.951 135 HD1 TRP 17 HD1 TRP 17 -13.144 0.919 -3.538 136 HE1 TRP 17 HE1 TRP 17 -12.878 -1.642 -3.677 137 HE3 TRP 17 HE3 TRP 17 -8.996 0.626 -6.498 138 HZ2 TRP 17 HZ2 TRP 17 -11.134 -3.561 -4.887 139 HZ3 TRP 17 HZ3 TRP 17 -8.054 -1.577 -7.130 140 HH2 TRP 17 HH2 TRP 17 -9.116 -3.670 -6.330 141 H ALA 18 HN ALA 18 -7.968 3.770 -4.561 142 HA ALA 18 HA ALA 18 -8.824 6.382 -5.495 143 HB1 ALA 18 HB1 ALA 18 -8.919 6.988 -3.194 144 HB2 ALA 18 HB2 ALA 18 -7.390 7.630 -3.796 145 HB3 ALA 18 HB3 ALA 18 -7.409 6.150 -2.837 146 H ASN 19 HN ASN 19 -6.601 7.796 -5.630 147 HA ASN 19 HA ASN 19 -4.468 5.959 -6.692 148 HB2 ASN 19 HB2 ASN 19 -5.497 8.571 -7.821 149 HB3 ASN 19 HB1 ASN 19 -3.992 7.810 -8.341 150 HD21 ASN 19 HD21 ASN 19 -5.609 7.921 -10.401 151 HD22 ASN 19 HD22 ASN 19 -6.461 6.483 -10.686 152 H LEU 20 HN LEU 20 -2.327 6.605 -6.282 153 HA LEU 20 HA LEU 20 -1.926 9.104 -4.719 154 HB2 LEU 20 HB2 LEU 20 -2.276 7.401 -3.009 155 HB3 LEU 20 HB1 LEU 20 -1.096 6.342 -3.778 156 HG LEU 20 HG LEU 20 0.700 7.953 -3.325 157 HD11 LEU 20 HD11 LEU 20 -0.260 10.088 -3.459 158 HD12 LEU 20 HD12 LEU 20 -0.014 9.915 -1.727 159 HD13 LEU 20 HD13 LEU 20 -1.616 9.660 -2.419 160 HD21 LEU 20 HD21 LEU 20 -0.108 6.287 -1.559 161 HD22 LEU 20 HD22 LEU 20 -0.907 7.656 -0.784 162 HD23 LEU 20 HD23 LEU 20 0.846 7.649 -0.976 163 H LYS 21 HN LYS 21 -0.059 10.109 -5.244 164 HA LYS 21 HA LYS 21 1.928 8.631 -6.936 165 HB2 LYS 21 HB2 LYS 21 0.764 10.639 -7.940 166 HB3 LYS 21 HB1 LYS 21 1.546 11.630 -6.708 167 HG2 LYS 21 HG2 LYS 21 3.759 10.704 -7.490 168 HG3 LYS 21 HG1 LYS 21 2.903 9.945 -8.831 169 HD2 LYS 21 HD2 LYS 21 2.784 12.914 -8.235 170 HD3 LYS 21 HD1 LYS 21 3.921 12.199 -9.375 171 HE2 LYS 21 HE2 LYS 21 2.144 12.830 -10.767 172 HE3 LYS 21 HE1 LYS 21 1.775 11.135 -10.454 173 HZ1 LYS 21 HZ1 LYS 21 0.328 13.481 -9.701 174 HZ2 LYS 21 HZ2 LYS 21 0.641 12.479 -8.366 175 HZ3 LYS 21 HZ3 LYS 21 -0.178 11.862 -9.720 176 H ALA 22 HN ALA 22 3.927 8.385 -6.090 177 HA ALA 22 HA ALA 22 4.995 10.248 -4.088 178 HB1 ALA 22 HB1 ALA 22 4.374 7.387 -3.320 179 HB2 ALA 22 HB2 ALA 22 3.633 8.836 -2.644 180 HB3 ALA 22 HB3 ALA 22 5.340 8.503 -2.354 181 H LYS 23 HN LYS 23 7.167 9.783 -3.511 182 HA LYS 23 HA LYS 23 8.666 8.467 -5.730 183 HB2 LYS 23 HB2 LYS 23 9.274 10.762 -4.957 184 HB3 LYS 23 HB1 LYS 23 9.753 10.072 -3.408 185 HG2 LYS 23 HG2 LYS 23 11.433 8.679 -4.503 186 HG3 LYS 23 HG1 LYS 23 10.916 9.251 -6.090 187 HD2 LYS 23 HD2 LYS 23 11.740 11.282 -4.020 188 HD3 LYS 23 HD1 LYS 23 12.993 10.379 -4.866 189 HE2 LYS 23 HE2 LYS 23 10.801 11.997 -6.196 190 HE3 LYS 23 HE1 LYS 23 12.485 12.491 -6.037 191 HZ1 LYS 23 HZ1 LYS 23 11.344 10.902 -8.019 192 HZ2 LYS 23 HZ2 LYS 23 12.388 9.906 -7.122 193 HZ3 LYS 23 HZ3 LYS 23 12.975 11.331 -7.837 194 H VAL 24 HN VAL 24 10.413 6.925 -5.270 195 HA VAL 24 HA VAL 24 9.716 5.205 -2.943 196 HB VAL 24 HB VAL 24 11.459 4.710 -5.373 197 HG11 VAL 24 HG11 VAL 24 12.202 3.333 -3.510 198 HG12 VAL 24 HG12 VAL 24 11.288 2.325 -4.626 199 HG13 VAL 24 HG13 VAL 24 10.540 2.883 -3.133 200 HG21 VAL 24 HG21 VAL 24 9.620 3.555 -6.291 201 HG22 VAL 24 HG22 VAL 24 8.877 4.988 -5.590 202 HG23 VAL 24 HG23 VAL 24 8.788 3.444 -4.742 203 H ILE 25 HN ILE 25 10.848 5.627 -1.142 204 HA ILE 25 HA ILE 25 13.588 6.733 -1.294 205 HB ILE 25 HB ILE 25 13.329 6.709 1.251 206 HG12 ILE 25 HG12 ILE 25 10.423 6.219 0.547 207 HG13 ILE 25 HG11 ILE 25 11.487 4.954 1.163 208 HG21 ILE 25 HG21 ILE 25 13.036 8.782 0.122 209 HG22 ILE 25 HG22 ILE 25 11.597 8.608 1.124 210 HG23 ILE 25 HG23 ILE 25 11.518 8.261 -0.604 211 HD11 ILE 25 HD11 ILE 25 11.933 6.296 3.176 212 HD12 ILE 25 HD12 ILE 25 10.202 6.008 2.992 213 HD13 ILE 25 HD13 ILE 25 10.888 7.575 2.561 214 H GLN 26 HN GLN 26 12.037 3.683 -0.840 215 HA GLN 26 HA GLN 26 14.584 2.313 -0.806 216 HB2 GLN 26 HB2 GLN 26 14.492 3.021 1.562 217 HB3 GLN 26 HB1 GLN 26 12.928 2.223 1.733 218 HG2 GLN 26 HG2 GLN 26 13.914 0.056 1.282 219 HG3 GLN 26 HG1 GLN 26 15.468 0.794 0.892 220 HE21 GLN 26 HE21 GLN 26 16.927 0.712 2.601 221 HE22 GLN 26 HE22 GLN 26 16.506 0.699 4.246 222 H LEU 27 HN LEU 27 14.298 -0.027 -0.895 223 HA LEU 27 HA LEU 27 11.491 -0.954 -1.336 224 HB2 LEU 27 HB2 LEU 27 13.847 -1.370 -3.192 225 HB3 LEU 27 HB1 LEU 27 12.326 -2.254 -3.320 226 HG LEU 27 HG LEU 27 12.569 0.769 -3.416 227 HD11 LEU 27 HD11 LEU 27 11.906 -1.027 -5.751 228 HD12 LEU 27 HD12 LEU 27 13.577 -0.614 -5.371 229 HD13 LEU 27 HD13 LEU 27 12.425 0.657 -5.775 230 HD21 LEU 27 HD21 LEU 27 10.174 0.278 -4.523 231 HD22 LEU 27 HD22 LEU 27 10.357 0.427 -2.778 232 HD23 LEU 27 HD23 LEU 27 10.274 -1.171 -3.521 233 H TRP 28 HN TRP 28 11.276 -3.302 -1.239 234 HA TRP 28 HA TRP 28 13.547 -4.747 0.006 235 HB2 TRP 28 HB2 TRP 28 12.139 -3.703 1.837 236 HB3 TRP 28 HB1 TRP 28 10.806 -4.708 1.277 237 HD1 TRP 28 HD1 TRP 28 10.667 -7.059 2.228 238 HE1 TRP 28 HE1 TRP 28 12.258 -8.602 3.544 239 HE3 TRP 28 HE3 TRP 28 14.924 -4.239 2.114 240 HZ2 TRP 28 HZ2 TRP 28 14.976 -8.636 4.431 241 HZ3 TRP 28 HZ3 TRP 28 16.998 -5.051 3.201 242 HH2 TRP 28 HH2 TRP 28 17.030 -7.244 4.358 243 H GLU 29 HN GLU 29 13.717 -6.544 -1.146 244 HA GLU 29 HA GLU 29 11.580 -7.558 -2.835 245 HB2 GLU 29 HB2 GLU 29 14.258 -8.746 -2.047 246 HB3 GLU 29 HB1 GLU 29 13.178 -9.460 -3.244 247 HG2 GLU 29 HG2 GLU 29 14.284 -6.645 -3.404 248 HG3 GLU 29 HG1 GLU 29 14.958 -8.028 -4.264 249 H ASN 30 HN ASN 30 10.065 -9.110 -2.364 250 HA ASN 30 HA ASN 30 10.348 -10.585 0.240 251 HB2 ASN 30 HB2 ASN 30 8.496 -8.766 -0.024 252 HB3 ASN 30 HB1 ASN 30 7.698 -9.943 -1.068 253 HD21 ASN 30 HD21 ASN 30 5.983 -10.103 0.605 254 HD22 ASN 30 HD22 ASN 30 6.240 -11.034 2.002 255 H THR 31 HN THR 31 10.460 -12.751 -0.013 256 HA THR 31 HA THR 31 9.620 -13.936 -2.632 257 HB THR 31 HB THR 31 11.080 -15.868 -1.868 258 HG1 THR 31 HG1 THR 31 12.120 -15.701 -0.040 259 HG21 THR 31 HG21 THR 31 12.278 -13.111 -2.236 260 HG22 THR 31 HG22 THR 31 11.898 -14.281 -3.500 261 HG23 THR 31 HG23 THR 31 13.200 -14.610 -2.357 262 H HIS 32 HN HIS 32 7.970 -13.292 -0.147 263 HA HIS 32 HA HIS 32 7.214 -15.804 1.050 264 HB2 HIS 32 HB2 HIS 32 6.793 -13.501 2.010 265 HB3 HIS 32 HB1 HIS 32 5.527 -13.300 0.800 266 HD1 HIS 32 HD1 HIS 32 3.451 -14.931 0.974 267 HD2 HIS 32 HD2 HIS 32 6.099 -15.132 4.186 268 HE1 HIS 32 HE1 HIS 32 2.242 -16.171 2.823 269 H GLU 33 HN GLU 33 7.145 -15.223 -2.040 270 HA GLU 33 HA GLU 33 5.922 -15.982 -3.874 271 HB2 GLU 33 HB2 GLU 33 4.714 -17.744 -1.724 272 HB3 GLU 33 HB1 GLU 33 4.420 -17.947 -3.451 273 HG2 GLU 33 HG2 GLU 33 6.825 -18.249 -3.844 274 HG3 GLU 33 HG1 GLU 33 7.146 -18.008 -2.126 275 H SER 34 HN SER 34 3.446 -16.096 -1.288 276 HA SER 34 HA SER 34 1.302 -15.161 -2.836 277 HB2 SER 34 HB2 SER 34 1.848 -14.539 0.082 278 HB3 SER 34 HB1 SER 34 0.280 -14.447 -0.714 279 HG SER 34 HG SER 34 0.133 -16.558 -0.660 280 H ILE 35 HN ILE 35 3.799 -13.325 -1.105 281 HA ILE 35 HA ILE 35 2.723 -10.796 -2.282 282 HB ILE 35 HB ILE 35 4.663 -11.271 -0.005 283 HG12 ILE 35 HG12 ILE 35 1.916 -9.993 0.006 284 HG13 ILE 35 HG11 ILE 35 2.179 -11.702 0.360 285 HG21 ILE 35 HG21 ILE 35 3.671 -8.757 -1.367 286 HG22 ILE 35 HG22 ILE 35 5.342 -9.254 -1.102 287 HG23 ILE 35 HG23 ILE 35 4.347 -8.742 0.262 288 HD11 ILE 35 HD11 ILE 35 2.129 -10.500 2.462 289 HD12 ILE 35 HD12 ILE 35 3.314 -9.334 1.872 290 HD13 ILE 35 HD13 ILE 35 3.791 -11.007 2.162 291 H SER 36 HN SER 36 3.982 -9.594 -3.631 292 HA SER 36 HA SER 36 6.280 -10.952 -4.875 293 HB2 SER 36 HB2 SER 36 6.013 -9.424 -6.633 294 HB3 SER 36 HB1 SER 36 4.366 -9.548 -6.017 295 HG SER 36 HG SER 36 4.748 -7.412 -6.067 296 H GLN 37 HN GLN 37 5.739 -7.685 -3.505 297 HA GLN 37 HA GLN 37 8.336 -7.786 -2.157 298 HB2 GLN 37 HB2 GLN 37 9.336 -5.910 -3.377 299 HB3 GLN 37 HB1 GLN 37 8.976 -7.229 -4.493 300 HG2 GLN 37 HG2 GLN 37 6.819 -6.089 -5.047 301 HG3 GLN 37 HG1 GLN 37 7.325 -4.724 -4.057 302 HE21 GLN 37 HE21 GLN 37 9.532 -3.755 -4.718 303 HE22 GLN 37 HE22 GLN 37 9.889 -3.711 -6.376 304 H VAL 38 HN VAL 38 8.762 -5.743 -0.997 305 HA VAL 38 HA VAL 38 6.375 -4.004 -0.573 306 HB VAL 38 HB VAL 38 6.498 -4.239 1.850 307 HG11 VAL 38 HG11 VAL 38 5.179 -5.877 0.393 308 HG12 VAL 38 HG12 VAL 38 5.543 -6.418 2.031 309 HG13 VAL 38 HG13 VAL 38 6.489 -7.024 0.672 310 HG21 VAL 38 HG21 VAL 38 8.861 -5.993 1.174 311 HG22 VAL 38 HG22 VAL 38 7.986 -6.206 2.690 312 HG23 VAL 38 HG23 VAL 38 8.762 -4.666 2.331 313 H GLY 39 HN GLY 39 6.965 -1.988 0.593 314 HA2 GLY 39 HA2 GLY 39 9.708 -1.374 1.193 315 HA3 GLY 39 HA1 GLY 39 9.312 -0.786 -0.420 316 H LEU 40 HN LEU 40 9.780 1.324 0.649 317 HA LEU 40 HA LEU 40 7.344 2.409 2.036 318 HB2 LEU 40 HB2 LEU 40 10.229 3.242 2.439 319 HB3 LEU 40 HB1 LEU 40 8.823 3.950 3.235 320 HG LEU 40 HG LEU 40 8.400 1.338 3.878 321 HD11 LEU 40 HD11 LEU 40 11.413 1.564 4.010 322 HD12 LEU 40 HD12 LEU 40 10.602 0.791 2.652 323 HD13 LEU 40 HD13 LEU 40 10.410 0.137 4.277 324 HD21 LEU 40 HD21 LEU 40 10.194 3.330 5.292 325 HD22 LEU 40 HD22 LEU 40 9.603 1.847 6.043 326 HD23 LEU 40 HD23 LEU 40 8.464 3.092 5.531 327 H LEU 41 HN LEU 41 6.640 4.426 1.353 328 HA LEU 41 HA LEU 41 7.942 5.476 -1.143 329 HB2 LEU 41 HB2 LEU 41 5.072 5.811 -0.229 330 HB3 LEU 41 HB1 LEU 41 5.754 6.289 -1.784 331 HG LEU 41 HG LEU 41 5.624 3.451 -0.741 332 HD11 LEU 41 HD11 LEU 41 3.416 4.465 -1.367 333 HD12 LEU 41 HD12 LEU 41 3.879 3.101 -2.385 334 HD13 LEU 41 HD13 LEU 41 4.058 4.750 -2.985 335 HD21 LEU 41 HD21 LEU 41 6.768 4.722 -3.227 336 HD22 LEU 41 HD22 LEU 41 6.149 3.073 -3.297 337 HD23 LEU 41 HD23 LEU 41 7.467 3.471 -2.199 338 H GLY 42 HN GLY 42 8.741 7.484 -1.074 339 HA2 GLY 42 HA2 GLY 42 8.424 9.067 1.410 340 HA3 GLY 42 HA1 GLY 42 9.614 9.352 0.147 341 H ASP 43 HN ASP 43 6.474 10.162 1.295 342 HA ASP 43 HA ASP 43 5.896 11.738 -1.181 343 HB2 ASP 43 HB2 ASP 43 4.157 10.138 -0.179 344 HB3 ASP 43 HB1 ASP 43 4.024 11.295 1.146 345 H GLU 44 HN GLU 44 5.037 13.930 -0.813 346 HA GLU 44 HA GLU 44 6.756 15.467 0.918 347 HB2 GLU 44 HB2 GLU 44 5.868 16.281 -1.260 348 HB3 GLU 44 HB1 GLU 44 4.249 16.306 -0.566 349 HG2 GLU 44 HG2 GLU 44 6.501 17.801 0.776 350 HG3 GLU 44 HG1 GLU 44 5.638 18.521 -0.581 351 H THR 45 HN THR 45 3.699 13.934 1.358 352 HA THR 45 HA THR 45 2.980 15.675 3.657 353 HB THR 45 HB THR 45 0.880 14.486 3.671 354 HG1 THR 45 HG1 THR 45 2.124 12.769 1.785 355 HG21 THR 45 HG21 THR 45 0.119 14.856 1.346 356 HG22 THR 45 HG22 THR 45 1.800 14.964 0.821 357 HG23 THR 45 HG23 THR 45 1.136 16.183 1.909 358 H GLY 46 HN GLY 46 4.790 12.874 3.037 359 HA2 GLY 46 HA2 GLY 46 5.815 12.352 5.465 360 HA3 GLY 46 HA1 GLY 46 4.219 11.627 5.660 361 H ILE 47 HN ILE 47 4.947 9.496 5.777 362 HA ILE 47 HA ILE 47 5.983 8.350 3.213 363 HB ILE 47 HB ILE 47 7.410 6.812 4.505 364 HG12 ILE 47 HG12 ILE 47 6.585 8.475 6.911 365 HG13 ILE 47 HG11 ILE 47 6.044 6.826 6.600 366 HG21 ILE 47 HG21 ILE 47 8.222 9.075 3.717 367 HG22 ILE 47 HG22 ILE 47 9.126 8.398 5.068 368 HG23 ILE 47 HG23 ILE 47 7.936 9.672 5.350 369 HD11 ILE 47 HD11 ILE 47 8.859 7.771 7.156 370 HD12 ILE 47 HD12 ILE 47 8.505 6.173 6.499 371 HD13 ILE 47 HD13 ILE 47 7.894 6.627 8.090 372 H ILE 48 HN ILE 48 5.488 6.040 2.972 373 HA ILE 48 HA ILE 48 3.530 4.858 4.798 374 HB ILE 48 HB ILE 48 2.096 6.347 3.478 375 HG12 ILE 48 HG12 ILE 48 1.725 3.484 2.574 376 HG13 ILE 48 HG11 ILE 48 1.358 4.037 4.208 377 HG21 ILE 48 HG21 ILE 48 1.884 6.061 1.065 378 HG22 ILE 48 HG22 ILE 48 3.075 4.761 1.086 379 HG23 ILE 48 HG23 ILE 48 3.565 6.413 1.461 380 HD11 ILE 48 HD11 ILE 48 -0.610 4.022 2.586 381 HD12 ILE 48 HD12 ILE 48 0.189 5.350 1.745 382 HD13 ILE 48 HD13 ILE 48 -0.322 5.547 3.421 383 H LYS 49 HN LYS 49 3.332 2.636 4.484 384 HA LYS 49 HA LYS 49 5.426 1.413 2.812 385 HB2 LYS 49 HB2 LYS 49 3.424 0.212 4.736 386 HB3 LYS 49 HB1 LYS 49 4.715 -0.684 3.934 387 HG2 LYS 49 HG2 LYS 49 6.380 0.857 4.960 388 HG3 LYS 49 HG1 LYS 49 5.070 1.655 5.830 389 HD2 LYS 49 HD2 LYS 49 5.791 -1.282 6.053 390 HD3 LYS 49 HD1 LYS 49 6.186 -0.042 7.242 391 HE2 LYS 49 HE2 LYS 49 4.211 -0.826 8.173 392 HE3 LYS 49 HE1 LYS 49 3.533 0.398 7.098 393 HZ1 LYS 49 HZ1 LYS 49 2.915 -2.247 7.091 394 HZ2 LYS 49 HZ2 LYS 49 4.000 -2.110 5.791 395 HZ3 LYS 49 HZ3 LYS 49 2.596 -1.156 5.832 396 H PHE 50 HN PHE 50 4.831 -0.574 1.405 397 HA PHE 50 HA PHE 50 2.051 -0.657 0.515 398 HB2 PHE 50 HB2 PHE 50 2.451 -0.026 -1.753 399 HB3 PHE 50 HB1 PHE 50 3.200 1.237 -0.779 400 HD1 PHE 50 HD1 PHE 50 5.700 1.168 -0.375 401 HD2 PHE 50 HD2 PHE 50 3.749 -1.403 -3.205 402 HE1 PHE 50 HE1 PHE 50 7.879 0.723 -1.471 403 HE2 PHE 50 HE2 PHE 50 5.928 -1.858 -4.296 404 HZ PHE 50 HZ PHE 50 7.990 -0.799 -3.429 405 H THR 51 HN THR 51 1.721 -2.543 -0.875 406 HA THR 51 HA THR 51 4.011 -4.448 -1.046 407 HB THR 51 HB THR 51 2.839 -5.034 1.014 408 HG1 THR 51 HG1 THR 51 2.884 -7.057 0.471 409 HG21 THR 51 HG21 THR 51 0.331 -5.393 -0.635 410 HG22 THR 51 HG22 THR 51 0.670 -3.903 0.246 411 HG23 THR 51 HG23 THR 51 0.490 -5.423 1.120 412 H ILE 52 HN ILE 52 4.068 -5.398 -2.969 413 HA ILE 52 HA ILE 52 1.683 -5.185 -4.782 414 HB ILE 52 HB ILE 52 4.600 -5.626 -5.471 415 HG12 ILE 52 HG12 ILE 52 2.871 -3.178 -5.916 416 HG13 ILE 52 HG11 ILE 52 3.947 -3.353 -4.530 417 HG21 ILE 52 HG21 ILE 52 3.745 -5.091 -7.788 418 HG22 ILE 52 HG22 ILE 52 2.108 -5.221 -7.144 419 HG23 ILE 52 HG23 ILE 52 3.171 -6.628 -7.141 420 HD11 ILE 52 HD11 ILE 52 4.961 -2.101 -6.465 421 HD12 ILE 52 HD12 ILE 52 4.859 -3.587 -7.408 422 HD13 ILE 52 HD13 ILE 52 5.879 -3.524 -5.970 423 H TRP 53 HN TRP 53 0.671 -7.028 -5.446 424 HA TRP 53 HA TRP 53 1.708 -9.606 -4.451 425 HB2 TRP 53 HB2 TRP 53 -0.887 -8.753 -5.758 426 HB3 TRP 53 HB1 TRP 53 -0.526 -10.423 -5.314 427 HD1 TRP 53 HD1 TRP 53 -0.618 -6.938 -3.635 428 HE1 TRP 53 HE1 TRP 53 -1.367 -7.249 -1.188 429 HE3 TRP 53 HE3 TRP 53 -0.983 -12.025 -3.470 430 HZ2 TRP 53 HZ2 TRP 53 -2.034 -9.379 0.603 431 HZ3 TRP 53 HZ3 TRP 53 -1.678 -13.169 -1.386 432 HH2 TRP 53 HH2 TRP 53 -2.204 -11.854 0.649 433 H LYS 54 HN LYS 54 2.284 -11.310 -5.773 434 HA LYS 54 HA LYS 54 3.437 -10.789 -8.316 435 HB2 LYS 54 HB2 LYS 54 2.602 -13.308 -6.874 436 HB3 LYS 54 HB1 LYS 54 3.280 -13.390 -8.500 437 HG2 LYS 54 HG2 LYS 54 4.723 -11.820 -6.373 438 HG3 LYS 54 HG1 LYS 54 4.878 -13.574 -6.409 439 HD2 LYS 54 HD2 LYS 54 5.620 -13.454 -8.768 440 HD3 LYS 54 HD1 LYS 54 5.502 -11.697 -8.714 441 HE2 LYS 54 HE2 LYS 54 7.180 -11.620 -6.926 442 HE3 LYS 54 HE1 LYS 54 7.284 -13.381 -6.936 443 HZ1 LYS 54 HZ1 LYS 54 8.344 -13.401 -8.944 444 HZ2 LYS 54 HZ2 LYS 54 8.944 -11.941 -8.314 445 HZ3 LYS 54 HZ3 LYS 54 7.681 -11.925 -9.451 446 H ASN 55 HN ASN 55 0.219 -11.828 -7.383 447 HA ASN 55 HA ASN 55 -0.713 -12.767 -9.887 448 HB2 ASN 55 HB2 ASN 55 -2.088 -11.422 -7.556 449 HB3 ASN 55 HB1 ASN 55 -2.987 -11.950 -8.980 450 HD21 ASN 55 HD21 ASN 55 -3.478 -13.150 -6.443 451 HD22 ASN 55 HD22 ASN 55 -2.930 -14.757 -6.484 452 H ALA 56 HN ALA 56 0.258 -9.619 -8.976 453 HA ALA 56 HA ALA 56 -1.448 -8.253 -10.962 454 HB1 ALA 56 HB1 ALA 56 -0.604 -7.307 -8.675 455 HB2 ALA 56 HB2 ALA 56 -0.597 -6.245 -10.081 456 HB3 ALA 56 HB3 ALA 56 0.903 -7.002 -9.539 457 H GLU 57 HN GLU 57 1.816 -9.488 -10.616 458 HA GLU 57 HA GLU 57 3.583 -9.663 -12.125 459 HB2 GLU 57 HB2 GLU 57 1.308 -9.472 -14.124 460 HB3 GLU 57 HB1 GLU 57 2.944 -10.022 -14.489 461 HG2 GLU 57 HG2 GLU 57 1.182 -11.302 -12.385 462 HG3 GLU 57 HG1 GLU 57 1.303 -11.888 -14.044 463 H LEU 58 HN LEU 58 3.606 -7.213 -11.149 464 HA LEU 58 HA LEU 58 3.731 -5.329 -13.467 465 HB2 LEU 58 HB2 LEU 58 3.131 -5.009 -10.563 466 HB3 LEU 58 HB1 LEU 58 4.014 -3.690 -11.336 467 HG LEU 58 HG LEU 58 2.283 -3.530 -13.071 468 HD11 LEU 58 HD11 LEU 58 1.144 -5.879 -11.574 469 HD12 LEU 58 HD12 LEU 58 1.443 -5.726 -13.302 470 HD13 LEU 58 HD13 LEU 58 0.112 -4.845 -12.556 471 HD21 LEU 58 HD21 LEU 58 2.114 -2.325 -10.864 472 HD22 LEU 58 HD22 LEU 58 1.004 -3.589 -10.339 473 HD23 LEU 58 HD23 LEU 58 0.580 -2.551 -11.701 474 HA PRO 59 HA PRO 59 8.146 -5.277 -13.234 475 HB2 PRO 59 HB2 PRO 59 8.677 -2.625 -13.843 476 HB3 PRO 59 HB1 PRO 59 8.214 -3.848 -15.042 477 HG2 PRO 59 HG2 PRO 59 6.541 -1.754 -13.732 478 HG3 PRO 59 HG1 PRO 59 6.503 -2.347 -15.402 479 HD2 PRO 59 HD2 PRO 59 4.677 -3.124 -13.522 480 HD3 PRO 59 HD1 PRO 59 5.178 -4.171 -14.869 481 H LEU 60 HN LEU 60 9.951 -4.532 -11.972 482 HA LEU 60 HA LEU 60 9.274 -3.842 -9.250 483 HB2 LEU 60 HB2 LEU 60 11.996 -3.874 -10.581 484 HB3 LEU 60 HB1 LEU 60 11.669 -3.964 -8.850 485 HG LEU 60 HG LEU 60 10.758 -6.004 -10.904 486 HD11 LEU 60 HD11 LEU 60 13.151 -6.160 -10.622 487 HD12 LEU 60 HD12 LEU 60 12.420 -7.468 -9.693 488 HD13 LEU 60 HD13 LEU 60 13.004 -6.022 -8.870 489 HD21 LEU 60 HD21 LEU 60 10.378 -5.706 -7.923 490 HD22 LEU 60 HD22 LEU 60 10.399 -7.311 -8.654 491 HD23 LEU 60 HD23 LEU 60 9.188 -6.134 -9.153 492 H LEU 61 HN LEU 61 9.617 -1.948 -8.145 493 HA LEU 61 HA LEU 61 9.634 0.509 -9.735 494 HB2 LEU 61 HB2 LEU 61 9.309 -0.157 -6.812 495 HB3 LEU 61 HB1 LEU 61 9.545 1.511 -7.326 496 HG LEU 61 HG LEU 61 7.609 1.312 -8.850 497 HD11 LEU 61 HD11 LEU 61 6.123 -0.754 -8.408 498 HD12 LEU 61 HD12 LEU 61 7.572 -1.492 -7.723 499 HD13 LEU 61 HD13 LEU 61 7.552 -0.990 -9.414 500 HD21 LEU 61 HD21 LEU 61 6.932 0.418 -6.031 501 HD22 LEU 61 HD22 LEU 61 5.897 1.334 -7.126 502 HD23 LEU 61 HD23 LEU 61 7.356 2.074 -6.468 503 H GLU 62 HN GLU 62 11.222 2.148 -9.616 504 HA GLU 62 HA GLU 62 13.923 1.181 -8.795 505 HB2 GLU 62 HB2 GLU 62 13.035 3.419 -10.631 506 HB3 GLU 62 HB1 GLU 62 14.718 3.070 -10.227 507 HG2 GLU 62 HG2 GLU 62 14.505 0.812 -11.139 508 HG3 GLU 62 HG1 GLU 62 12.799 1.094 -11.489 509 H GLN 63 HN GLN 63 15.051 2.178 -7.212 510 HA GLN 63 HA GLN 63 13.695 3.980 -5.412 511 HB2 GLN 63 HB2 GLN 63 16.572 3.047 -5.559 512 HB3 GLN 63 HB1 GLN 63 15.919 4.028 -4.243 513 HG2 GLN 63 HG2 GLN 63 14.279 2.317 -3.722 514 HG3 GLN 63 HG1 GLN 63 14.800 1.350 -5.097 515 HE21 GLN 63 HE21 GLN 63 14.936 0.981 -1.982 516 HE22 GLN 63 HE22 GLN 63 16.540 0.484 -1.730 517 H GLY 64 HN GLY 64 13.789 6.160 -5.266 518 HA2 GLY 64 HA2 GLY 64 14.771 8.329 -5.526 519 HA3 GLY 64 HA1 GLY 64 15.893 7.667 -6.713 520 H GLU 65 HN GLU 65 13.285 6.282 -7.824 521 HA GLU 65 HA GLU 65 12.681 8.509 -9.684 522 HB2 GLU 65 HB2 GLU 65 12.112 5.535 -9.771 523 HB3 GLU 65 HB1 GLU 65 11.538 6.671 -10.992 524 HG2 GLU 65 HG2 GLU 65 13.559 5.890 -11.914 525 HG3 GLU 65 HG1 GLU 65 14.043 7.406 -11.161 526 H SER 66 HN SER 66 10.520 8.931 -10.307 527 HA SER 66 HA SER 66 8.648 8.894 -8.012 528 HB2 SER 66 HB2 SER 66 8.923 11.025 -9.153 529 HB3 SER 66 HB1 SER 66 8.515 10.288 -10.700 530 HG SER 66 HG SER 66 6.899 11.031 -8.575 531 H TYR 67 HN TYR 67 6.665 7.830 -8.048 532 HA TYR 67 HA TYR 67 5.980 6.247 -10.495 533 HB2 TYR 67 HB2 TYR 67 6.328 5.276 -7.661 534 HB3 TYR 67 HB1 TYR 67 5.219 4.444 -8.751 535 HD1 TYR 67 HD1 TYR 67 6.065 3.486 -10.889 536 HD2 TYR 67 HD2 TYR 67 8.703 5.066 -7.908 537 HE1 TYR 67 HE1 TYR 67 7.956 2.289 -11.943 538 HE2 TYR 67 HE2 TYR 67 10.603 3.873 -8.959 539 HH TYR 67 HH TYR 67 10.113 1.588 -11.587 540 H LEU 68 HN LEU 68 3.873 6.044 -10.887 541 HA LEU 68 HA LEU 68 1.974 7.553 -9.114 542 HB2 LEU 68 HB2 LEU 68 2.080 8.601 -11.257 543 HB3 LEU 68 HB1 LEU 68 1.946 7.062 -12.105 544 HG LEU 68 HG LEU 68 -0.352 6.794 -11.237 545 HD11 LEU 68 HD11 LEU 68 -0.300 7.891 -9.131 546 HD12 LEU 68 HD12 LEU 68 -1.358 8.882 -10.133 547 HD13 LEU 68 HD13 LEU 68 0.308 9.386 -9.844 548 HD21 LEU 68 HD21 LEU 68 0.205 9.469 -12.539 549 HD22 LEU 68 HD22 LEU 68 -1.386 8.712 -12.451 550 HD23 LEU 68 HD23 LEU 68 -0.090 7.938 -13.364 551 H LEU 69 HN LEU 69 0.303 6.411 -8.214 552 HA LEU 69 HA LEU 69 -0.001 3.544 -9.024 553 HB2 LEU 69 HB2 LEU 69 -0.875 4.895 -6.455 554 HB3 LEU 69 HB1 LEU 69 -0.816 3.166 -6.790 555 HG LEU 69 HG LEU 69 1.592 5.005 -6.748 556 HD11 LEU 69 HD11 LEU 69 2.184 3.779 -4.682 557 HD12 LEU 69 HD12 LEU 69 0.653 2.907 -4.770 558 HD13 LEU 69 HD13 LEU 69 0.661 4.650 -4.503 559 HD21 LEU 69 HD21 LEU 69 2.133 3.245 -8.227 560 HD22 LEU 69 HD22 LEU 69 1.200 2.062 -7.311 561 HD23 LEU 69 HD23 LEU 69 2.736 2.657 -6.681 562 H ARG 70 HN ARG 70 -1.696 3.306 -10.377 563 HA ARG 70 HA ARG 70 -4.113 5.028 -9.973 564 HB2 ARG 70 HB2 ARG 70 -3.301 3.417 -12.406 565 HB3 ARG 70 HB1 ARG 70 -4.651 4.548 -12.295 566 HG2 ARG 70 HG2 ARG 70 -2.967 6.349 -11.714 567 HG3 ARG 70 HG1 ARG 70 -1.703 5.182 -12.103 568 HD2 ARG 70 HD2 ARG 70 -3.896 6.012 -14.017 569 HD3 ARG 70 HD1 ARG 70 -2.263 6.675 -14.027 570 HE ARG 70 HE ARG 70 -2.046 3.847 -14.149 571 HH11 ARG 70 HH21 ARG 70 -3.212 6.535 -15.981 572 HH12 ARG 70 HH22 ARG 70 -2.932 5.775 -17.512 573 HH21 ARG 70 HH11 ARG 70 -1.680 2.849 -16.137 574 HH22 ARG 70 HH12 ARG 70 -2.066 3.692 -17.600 575 H SER 71 HN SER 71 -6.078 4.102 -9.641 576 HA SER 71 HA SER 71 -7.635 2.503 -9.015 577 HB2 SER 71 HB2 SER 71 -7.740 1.734 -11.222 578 HB3 SER 71 HB1 SER 71 -6.091 1.120 -11.195 579 HG SER 71 HG SER 71 -8.198 0.103 -9.589 580 H VAL 72 HN VAL 72 -6.027 2.692 -6.988 581 HA VAL 72 HA VAL 72 -5.182 -0.107 -6.294 582 HB VAL 72 HB VAL 72 -3.678 1.009 -4.602 583 HG11 VAL 72 HG11 VAL 72 -1.929 1.290 -6.147 584 HG12 VAL 72 HG12 VAL 72 -2.993 1.949 -7.390 585 HG13 VAL 72 HG13 VAL 72 -3.037 0.228 -7.004 586 HG21 VAL 72 HG21 VAL 72 -4.266 3.493 -6.243 587 HG22 VAL 72 HG22 VAL 72 -3.191 3.372 -4.850 588 HG23 VAL 72 HG23 VAL 72 -4.933 3.196 -4.637 589 H VAL 73 HN VAL 73 -5.321 -0.509 -3.908 590 HA VAL 73 HA VAL 73 -7.733 0.827 -2.722 591 HB VAL 73 HB VAL 73 -8.332 -1.378 -3.664 592 HG11 VAL 73 HG11 VAL 73 -6.346 -2.485 -1.658 593 HG12 VAL 73 HG12 VAL 73 -6.057 -2.391 -3.397 594 HG13 VAL 73 HG13 VAL 73 -7.352 -3.412 -2.772 595 HG21 VAL 73 HG21 VAL 73 -8.244 -1.569 -0.649 596 HG22 VAL 73 HG22 VAL 73 -9.500 -2.152 -1.741 597 HG23 VAL 73 HG23 VAL 73 -9.292 -0.421 -1.482 598 H VAL 74 HN VAL 74 -7.853 0.627 -0.379 599 HA VAL 74 HA VAL 74 -5.126 0.687 0.849 600 HB VAL 74 HB VAL 74 -7.784 1.868 1.705 601 HG11 VAL 74 HG11 VAL 74 -6.740 1.226 3.744 602 HG12 VAL 74 HG12 VAL 74 -6.293 2.918 3.528 603 HG13 VAL 74 HG13 VAL 74 -5.135 1.643 3.146 604 HG21 VAL 74 HG21 VAL 74 -5.121 3.114 0.950 605 HG22 VAL 74 HG22 VAL 74 -6.589 3.991 1.381 606 HG23 VAL 74 HG23 VAL 74 -6.535 3.034 -0.100 607 H GLY 75 HN GLY 75 -4.571 -0.810 2.358 608 HA2 GLY 75 HA2 GLY 75 -6.678 -2.734 3.282 609 HA3 GLY 75 HA1 GLY 75 -4.993 -3.168 3.005 610 H GLU 76 HN GLU 76 -6.380 -3.570 5.467 611 HA GLU 76 HA GLU 76 -5.184 -1.536 7.294 612 HB2 GLU 76 HB2 GLU 76 -7.592 -2.098 7.576 613 HB3 GLU 76 HB1 GLU 76 -7.144 -3.778 7.878 614 HG2 GLU 76 HG2 GLU 76 -5.840 -3.117 9.833 615 HG3 GLU 76 HG1 GLU 76 -6.172 -1.415 9.510 616 H TYR 77 HN TYR 77 -3.014 -2.256 7.206 617 HA TYR 77 HA TYR 77 -2.471 -5.061 8.076 618 HB2 TYR 77 HB2 TYR 77 -1.314 -4.298 6.055 619 HB3 TYR 77 HB1 TYR 77 -0.636 -2.930 6.937 620 HD1 TYR 77 HD2 TYR 77 -0.809 -6.673 6.985 621 HD2 TYR 77 HD1 TYR 77 1.419 -3.161 8.060 622 HE1 TYR 77 HE2 TYR 77 1.081 -8.099 7.723 623 HE2 TYR 77 HE1 TYR 77 3.308 -4.587 8.799 624 HH TYR 77 HH TYR 77 3.347 -8.039 8.206 625 H ASN 78 HN ASN 78 -2.112 -5.380 10.176 626 HA ASN 78 HA ASN 78 -1.599 -4.993 12.412 627 HB2 ASN 78 HB2 ASN 78 0.558 -3.246 11.200 628 HB3 ASN 78 HB1 ASN 78 0.562 -3.949 12.820 629 HD21 ASN 78 HD21 ASN 78 -0.903 -6.335 11.179 630 HD22 ASN 78 HD22 ASN 78 0.437 -7.231 10.648 631 H ASP 79 HN ASP 79 -3.692 -3.391 11.510 632 HA ASP 79 HA ASP 79 -4.969 -1.590 12.286 633 HB2 ASP 79 HB2 ASP 79 -2.721 -0.778 14.130 634 HB3 ASP 79 HB1 ASP 79 -4.462 -0.639 14.370 635 H ARG 80 HN ARG 80 -1.820 -1.231 11.041 636 HA ARG 80 HA ARG 80 -2.009 1.703 10.760 637 HB2 ARG 80 HB2 ARG 80 0.048 -0.300 9.809 638 HB3 ARG 80 HB1 ARG 80 0.152 1.436 9.507 639 HG2 ARG 80 HG2 ARG 80 0.116 1.877 11.923 640 HG3 ARG 80 HG1 ARG 80 -0.034 0.149 12.245 641 HD2 ARG 80 HD2 ARG 80 2.300 0.795 12.489 642 HD3 ARG 80 HD1 ARG 80 2.124 -0.219 11.059 643 HE ARG 80 HE ARG 80 2.612 1.665 9.693 644 HH11 ARG 80 HH21 ARG 80 2.137 2.503 13.013 645 HH12 ARG 80 HH22 ARG 80 2.770 4.104 12.830 646 HH21 ARG 80 HH11 ARG 80 3.440 3.748 9.449 647 HH22 ARG 80 HH12 ARG 80 3.506 4.808 10.816 648 H PHE 81 HN PHE 81 -1.865 2.720 8.640 649 HA PHE 81 HA PHE 81 -3.646 1.372 6.697 650 HB2 PHE 81 HB2 PHE 81 -2.492 4.178 6.791 651 HB3 PHE 81 HB1 PHE 81 -3.628 3.600 5.571 652 HD1 PHE 81 HD2 PHE 81 -5.837 2.515 6.462 653 HD2 PHE 81 HD1 PHE 81 -3.325 5.110 8.790 654 HE1 PHE 81 HE2 PHE 81 -7.735 2.986 7.987 655 HE2 PHE 81 HE1 PHE 81 -5.222 5.578 10.315 656 HZ PHE 81 HZ PHE 81 -7.428 4.518 9.913 657 H GLN 82 HN GLN 82 -2.941 0.583 4.737 658 HA GLN 82 HA GLN 82 -0.209 1.304 3.787 659 HB2 GLN 82 HB2 GLN 82 0.001 -0.760 5.178 660 HB3 GLN 82 HB1 GLN 82 -1.158 -1.561 4.118 661 HG2 GLN 82 HG2 GLN 82 0.352 -1.191 2.194 662 HG3 GLN 82 HG1 GLN 82 1.511 -0.402 3.262 663 HE21 GLN 82 HE21 GLN 82 3.150 -1.791 3.921 664 HE22 GLN 82 HE22 GLN 82 2.987 -3.468 4.129 665 H VAL 83 HN VAL 83 0.088 0.895 1.518 666 HA VAL 83 HA VAL 83 -2.497 0.828 0.033 667 HB VAL 83 HB VAL 83 0.222 1.358 -1.184 668 HG11 VAL 83 HG11 VAL 83 -1.939 1.060 -2.526 669 HG12 VAL 83 HG12 VAL 83 -1.035 2.546 -2.823 670 HG13 VAL 83 HG13 VAL 83 -2.474 2.578 -1.803 671 HG21 VAL 83 HG21 VAL 83 -0.249 3.795 -0.710 672 HG22 VAL 83 HG22 VAL 83 0.162 2.843 0.715 673 HG23 VAL 83 HG23 VAL 83 -1.519 3.271 0.396 674 H GLN 84 HN GLN 84 -3.093 -1.052 -0.924 675 HA GLN 84 HA GLN 84 -1.003 -3.143 -1.417 676 HB2 GLN 84 HB2 GLN 84 -4.002 -3.349 -1.023 677 HB3 GLN 84 HB1 GLN 84 -2.955 -4.708 -1.433 678 HG2 GLN 84 HG2 GLN 84 -1.667 -4.380 0.620 679 HG3 GLN 84 HG1 GLN 84 -2.631 -2.958 1.024 680 HE21 GLN 84 HE21 GLN 84 -2.866 -4.648 3.017 681 HE22 GLN 84 HE22 GLN 84 -4.257 -5.616 2.939 682 H VAL 85 HN VAL 85 -0.496 -3.506 -3.492 683 HA VAL 85 HA VAL 85 -2.323 -2.502 -5.634 684 HB VAL 85 HB VAL 85 0.564 -3.388 -5.868 685 HG11 VAL 85 HG11 VAL 85 -1.250 -1.743 -7.659 686 HG12 VAL 85 HG12 VAL 85 -0.761 -3.411 -7.953 687 HG13 VAL 85 HG13 VAL 85 0.442 -2.121 -7.986 688 HG21 VAL 85 HG21 VAL 85 0.304 -1.449 -4.324 689 HG22 VAL 85 HG22 VAL 85 -0.584 -0.591 -5.584 690 HG23 VAL 85 HG23 VAL 85 1.117 -0.992 -5.821 691 H ASN 86 HN ASN 86 -3.328 -3.947 -6.955 692 HA ASN 86 HA ASN 86 -2.321 -6.737 -7.121 693 HB2 ASN 86 HB2 ASN 86 -4.633 -7.601 -6.700 694 HB3 ASN 86 HB1 ASN 86 -3.915 -6.838 -5.282 695 HD21 ASN 86 HD21 ASN 86 -4.732 -4.686 -4.660 696 HD22 ASN 86 HD22 ASN 86 -6.221 -4.122 -5.244 697 H LYS 87 HN LYS 87 -4.011 -7.940 -8.630 698 HA LYS 87 HA LYS 87 -3.749 -7.120 -11.245 699 HB2 LYS 87 HB2 LYS 87 -4.794 -9.276 -10.413 700 HB3 LYS 87 HB1 LYS 87 -6.297 -8.380 -10.197 701 HG2 LYS 87 HG2 LYS 87 -6.383 -7.841 -12.560 702 HG3 LYS 87 HG1 LYS 87 -4.793 -8.555 -12.823 703 HD2 LYS 87 HD2 LYS 87 -5.682 -10.760 -12.123 704 HD3 LYS 87 HD1 LYS 87 -7.277 -10.036 -11.908 705 HE2 LYS 87 HE2 LYS 87 -5.722 -10.115 -14.512 706 HE3 LYS 87 HE1 LYS 87 -7.096 -11.145 -14.109 707 HZ1 LYS 87 HZ1 LYS 87 -7.169 -8.178 -14.219 708 HZ2 LYS 87 HZ2 LYS 87 -8.488 -9.207 -13.925 709 HZ3 LYS 87 HZ3 LYS 87 -7.729 -9.209 -15.445 710 H ASN 88 HN ASN 88 -5.333 -6.117 -12.771 711 HA ASN 88 HA ASN 88 -6.892 -4.472 -13.388 712 HB2 ASN 88 HB2 ASN 88 -8.096 -5.539 -11.232 713 HB3 ASN 88 HB1 ASN 88 -7.722 -3.962 -10.543 714 HD21 ASN 88 HD21 ASN 88 -7.947 -2.817 -13.423 715 HD22 ASN 88 HD22 ASN 88 -9.622 -2.660 -13.652 716 H SER 89 HN SER 89 -4.709 -3.989 -10.696 717 HA SER 89 HA SER 89 -4.843 -1.075 -10.830 718 HB2 SER 89 HB2 SER 89 -4.252 -2.335 -8.745 719 HB3 SER 89 HB1 SER 89 -2.742 -2.816 -9.516 720 HG SER 89 HG SER 89 -2.427 -0.481 -9.846 721 H SER 90 HN SER 90 -2.801 0.207 -11.283 722 HA SER 90 HA SER 90 -0.952 -1.071 -13.216 723 HB2 SER 90 HB2 SER 90 -2.769 -0.274 -14.638 724 HB3 SER 90 HB1 SER 90 -2.709 1.312 -13.873 725 HG SER 90 HG SER 90 -1.175 1.788 -15.211 726 H ILE 91 HN ILE 91 0.769 0.622 -13.873 727 HA ILE 91 HA ILE 91 1.162 2.730 -11.825 728 HB ILE 91 HB ILE 91 3.135 0.486 -12.373 729 HG12 ILE 91 HG12 ILE 91 1.743 1.376 -9.823 730 HG13 ILE 91 HG11 ILE 91 1.311 -0.046 -10.766 731 HG21 ILE 91 HG21 ILE 91 3.406 3.085 -10.837 732 HG22 ILE 91 HG22 ILE 91 4.375 2.551 -12.210 733 HG23 ILE 91 HG23 ILE 91 4.530 1.740 -10.657 734 HD11 ILE 91 HD11 ILE 91 2.702 -0.913 -9.082 735 HD12 ILE 91 HD12 ILE 91 3.816 0.450 -9.180 736 HD13 ILE 91 HD13 ILE 91 3.782 -0.753 -10.468 737 H GLU 92 HN GLU 92 2.150 4.512 -12.712 738 HA GLU 92 HA GLU 92 3.428 4.210 -15.415 739 HB2 GLU 92 HB2 GLU 92 1.175 5.268 -15.560 740 HB3 GLU 92 HB1 GLU 92 1.725 6.532 -14.459 741 HG2 GLU 92 HG2 GLU 92 3.483 7.181 -16.040 742 HG3 GLU 92 HG1 GLU 92 3.004 5.881 -17.132 743 H LYS 93 HN LYS 93 5.464 4.950 -15.460 744 HA LYS 93 HA LYS 93 6.666 6.165 -13.116 745 HB2 LYS 93 HB2 LYS 93 7.691 5.627 -15.915 746 HB3 LYS 93 HB1 LYS 93 8.692 6.301 -14.627 747 HG2 LYS 93 HG2 LYS 93 8.280 4.331 -13.237 748 HG3 LYS 93 HG1 LYS 93 7.212 3.663 -14.470 749 HD2 LYS 93 HD2 LYS 93 9.090 3.579 -16.065 750 HD3 LYS 93 HD1 LYS 93 10.162 4.266 -14.845 751 HE2 LYS 93 HE2 LYS 93 9.784 2.320 -13.392 752 HE3 LYS 93 HE1 LYS 93 8.677 1.632 -14.580 753 HZ1 LYS 93 HZ1 LYS 93 10.541 1.670 -16.186 754 HZ2 LYS 93 HZ2 LYS 93 10.813 0.641 -14.861 755 HZ3 LYS 93 HZ3 LYS 93 11.577 2.157 -14.934 756 H LEU 94 HN LEU 94 7.256 8.300 -12.819 757 HA LEU 94 HA LEU 94 6.261 10.267 -14.857 758 HB2 LEU 94 HB2 LEU 94 6.291 10.234 -11.860 759 HB3 LEU 94 HB1 LEU 94 6.428 11.796 -12.665 760 HG LEU 94 HG LEU 94 4.060 11.095 -12.118 761 HD11 LEU 94 HD11 LEU 94 4.917 12.560 -14.210 762 HD12 LEU 94 HD12 LEU 94 3.216 12.167 -13.982 763 HD13 LEU 94 HD13 LEU 94 4.188 11.230 -15.113 764 HD21 LEU 94 HD21 LEU 94 4.294 9.156 -14.425 765 HD22 LEU 94 HD22 LEU 94 3.029 9.274 -13.211 766 HD23 LEU 94 HD23 LEU 94 4.610 8.632 -12.769 767 H SER 95 HN SER 95 7.624 11.693 -15.698 768 HA SER 95 HA SER 95 10.487 11.411 -15.102 769 HB2 SER 95 HB2 SER 95 9.028 13.170 -17.094 770 HB3 SER 95 HB1 SER 95 10.773 12.940 -17.019 771 HG SER 95 HG SER 95 10.398 11.286 -18.257 772 H GLU 96 HN GLU 96 8.176 12.975 -13.476 773 HA GLU 96 HA GLU 96 9.804 15.455 -13.039 774 HB2 GLU 96 HB2 GLU 96 6.844 14.976 -12.597 775 HB3 GLU 96 HB1 GLU 96 7.709 16.476 -12.250 776 HG2 GLU 96 HG2 GLU 96 7.625 15.179 -14.988 777 HG3 GLU 96 HG1 GLU 96 6.545 16.479 -14.483 778 HA PRO 97 HA PRO 97 10.415 12.868 -9.244 779 HB2 PRO 97 HB2 PRO 97 12.429 15.049 -8.836 780 HB3 PRO 97 HB1 PRO 97 12.625 13.291 -8.672 781 HG2 PRO 97 HG2 PRO 97 13.611 14.610 -10.773 782 HG3 PRO 97 HG1 PRO 97 12.925 12.983 -10.940 783 HD2 PRO 97 HD2 PRO 97 11.739 15.615 -11.735 784 HD3 PRO 97 HD1 PRO 97 11.573 14.024 -12.507 785 H ILE 98 HN ILE 98 9.953 13.332 -7.032 786 HA ILE 98 HA ILE 98 8.427 15.862 -6.612 787 HB ILE 98 HB ILE 98 8.424 13.236 -5.098 788 HG12 ILE 98 HG12 ILE 98 6.254 14.574 -6.741 789 HG13 ILE 98 HG11 ILE 98 7.343 13.349 -7.393 790 HG21 ILE 98 HG21 ILE 98 7.979 14.980 -3.512 791 HG22 ILE 98 HG22 ILE 98 6.408 14.322 -3.971 792 HG23 ILE 98 HG23 ILE 98 6.961 15.850 -4.659 793 HD11 ILE 98 HD11 ILE 98 5.390 13.020 -5.103 794 HD12 ILE 98 HD12 ILE 98 6.604 11.815 -5.537 795 HD13 ILE 98 HD13 ILE 98 5.326 12.232 -6.679 796 H GLU 99 HN GLU 99 9.003 17.297 -5.002 797 HA GLU 99 HA GLU 99 11.700 16.953 -3.854 798 HB2 GLU 99 HB2 GLU 99 9.735 19.265 -3.824 799 HB3 GLU 99 HB1 GLU 99 11.322 19.310 -3.056 800 HG2 GLU 99 HG2 GLU 99 12.413 18.892 -5.207 801 HG3 GLU 99 HG1 GLU 99 10.843 18.752 -6.000 802 H VAL 100 HN VAL 100 12.050 16.349 -1.803 803 HA VAL 100 HA VAL 100 9.735 16.196 0.096 804 HB VAL 100 HB VAL 100 12.364 14.680 0.198 805 HG11 VAL 100 HG11 VAL 100 11.247 14.848 2.354 806 HG12 VAL 100 HG12 VAL 100 11.032 13.212 1.732 807 HG13 VAL 100 HG13 VAL 100 9.710 14.374 1.633 808 HG21 VAL 100 HG21 VAL 100 9.677 13.961 -1.001 809 HG22 VAL 100 HG22 VAL 100 10.873 12.744 -0.560 810 HG23 VAL 100 HG23 VAL 100 11.251 13.944 -1.795 811 H GLY 101 HN GLY 101 12.635 17.798 -0.641 812 HA2 GLY 101 HA2 GLY 101 13.375 18.457 2.119 813 HA3 GLY 101 HA1 GLY 101 14.125 19.101 0.658 814 H LEU 102 HN LEU 102 13.976 21.223 1.683 815 HA LEU 102 HA LEU 102 12.918 23.234 2.249 816 HB2 LEU 102 HB2 LEU 102 12.831 23.168 -0.252 817 HB3 LEU 102 HB1 LEU 102 11.216 22.464 -0.140 818 HG LEU 102 HG LEU 102 10.479 24.463 1.168 819 HD11 LEU 102 HD11 LEU 102 13.366 25.204 0.767 820 HD12 LEU 102 HD12 LEU 102 12.324 25.460 2.167 821 HD13 LEU 102 HD13 LEU 102 12.164 26.498 0.755 822 HD21 LEU 102 HD21 LEU 102 9.990 24.460 -1.175 823 HD22 LEU 102 HD22 LEU 102 11.655 24.872 -1.590 824 HD23 LEU 102 HD23 LEU 102 10.621 26.064 -0.802 825 H GLU 103 HN GLU 103 12.046 22.147 4.214 826 HA GLU 103 HA GLU 103 9.196 21.382 4.152 827 HB2 GLU 103 HB2 GLU 103 11.280 21.480 6.346 828 HB3 GLU 103 HB1 GLU 103 9.613 20.958 6.603 829 HG2 GLU 103 HG2 GLU 103 9.896 19.166 4.950 830 HG3 GLU 103 HG1 GLU 103 11.542 19.709 4.621 831 H HIS 104 HN HIS 104 11.022 24.216 4.566 832 HA HIS 104 HA HIS 104 9.494 25.577 6.571 833 HB2 HIS 104 HB2 HIS 104 11.026 26.640 4.177 834 HB3 HIS 104 HB1 HIS 104 10.408 27.644 5.491 835 HD1 HIS 104 HD1 HIS 104 11.348 26.961 7.962 836 HD2 HIS 104 HD2 HIS 104 13.510 25.518 4.702 837 HE1 HIS 104 HE1 HIS 104 13.613 26.263 8.856 838 H HIS 105 HN HIS 105 9.185 25.427 3.024 839 HA HIS 105 HA HIS 105 7.428 26.120 1.624 840 HB2 HIS 105 HB2 HIS 105 6.474 24.107 2.752 841 HB3 HIS 105 HB1 HIS 105 5.791 25.160 3.991 842 HD1 HIS 105 HD1 HIS 105 3.565 26.204 3.487 843 HD2 HIS 105 HD2 HIS 105 5.391 24.707 0.050 844 HE1 HIS 105 HE1 HIS 105 1.869 26.424 1.620 845 H HIS 106 HN HIS 106 8.386 27.958 3.989 846 HA HIS 106 HA HIS 106 6.052 29.602 4.537 847 HB2 HIS 106 HB2 HIS 106 8.074 29.422 6.043 848 HB3 HIS 106 HB1 HIS 106 8.968 30.363 4.848 849 HD1 HIS 106 HD1 HIS 106 9.102 32.713 5.669 850 HD2 HIS 106 HD2 HIS 106 5.351 31.049 6.397 851 HE1 HIS 106 HE1 HIS 106 7.689 34.551 6.688 852 H HIS 107 HN HIS 107 5.607 29.629 2.090 853 HA HIS 107 HA HIS 107 7.223 31.544 0.541 854 HB2 HIS 107 HB2 HIS 107 4.736 29.929 -0.067 855 HB3 HIS 107 HB1 HIS 107 5.442 31.069 -1.212 856 HD1 HIS 107 HD1 HIS 107 8.053 30.581 -1.824 857 HD2 HIS 107 HD2 HIS 107 5.943 27.431 -0.091 858 HE1 HIS 107 HE1 HIS 107 9.394 28.482 -2.284 859 H HIS 108 HN HIS 108 4.666 31.720 2.751 860 HA HIS 108 HA HIS 108 3.253 33.953 1.498 861 HB2 HIS 108 HB2 HIS 108 3.145 32.697 4.249 862 HB3 HIS 108 HB1 HIS 108 2.163 34.091 3.799 863 HD1 HIS 108 HD1 HIS 108 2.707 30.452 2.900 864 HD2 HIS 108 HD2 HIS 108 -0.046 33.497 2.168 865 HE1 HIS 108 HE1 HIS 108 0.733 29.371 1.737 866 H HIS 109 HN HIS 109 6.129 33.586 3.274 867 HA HIS 109 HA HIS 109 7.557 35.127 4.321 868 HB2 HIS 109 HB2 HIS 109 6.150 36.959 2.355 869 HB3 HIS 109 HB1 HIS 109 7.644 37.346 3.207 870 HD1 HIS 109 HD1 HIS 109 9.691 35.599 2.742 871 HD2 HIS 109 HD2 HIS 109 6.545 35.536 0.006 872 HE1 HIS 109 HE1 HIS 109 10.562 34.421 0.675 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -10.761 9.231 -16.856 2 H2 MET 1 HT2 MET 1 -9.509 8.563 -15.921 3 H3 MET 1 HT3 MET 1 -9.434 8.499 -17.617 4 HA MET 1 HA MET 1 -7.959 10.210 -16.764 5 HB2 MET 1 HB2 MET 1 -10.432 11.230 -18.200 6 HB3 MET 1 HB1 MET 1 -8.898 12.095 -18.106 7 HG2 MET 1 HG2 MET 1 -9.259 9.333 -19.306 8 HG3 MET 1 HG1 MET 1 -9.138 10.824 -20.237 9 HE1 MET 1 HE1 MET 1 -7.446 12.423 -20.103 10 HE2 MET 1 HE2 MET 1 -5.720 12.076 -20.011 11 HE3 MET 1 HE3 MET 1 -6.614 12.462 -18.543 12 H GLU 2 HN GLU 2 -7.861 12.384 -15.756 13 HA GLU 2 HA GLU 2 -8.233 13.741 -13.879 14 HB2 GLU 2 HB2 GLU 2 -10.196 14.324 -15.429 15 HB3 GLU 2 HB1 GLU 2 -11.175 13.281 -14.396 16 HG2 GLU 2 HG2 GLU 2 -10.483 14.626 -12.421 17 HG3 GLU 2 HG1 GLU 2 -9.585 15.701 -13.492 18 HA PRO 3 HA PRO 3 -9.423 9.932 -11.364 19 HB2 PRO 3 HB2 PRO 3 -6.947 9.402 -10.313 20 HB3 PRO 3 HB1 PRO 3 -7.502 8.737 -11.862 21 HG2 PRO 3 HG2 PRO 3 -5.723 11.082 -11.343 22 HG3 PRO 3 HG1 PRO 3 -5.580 9.810 -12.570 23 HD2 PRO 3 HD2 PRO 3 -6.579 12.293 -13.134 24 HD3 PRO 3 HD1 PRO 3 -7.100 10.832 -14.003 25 H GLN 4 HN GLN 4 -9.568 9.862 -9.026 26 HA GLN 4 HA GLN 4 -9.488 12.525 -7.800 27 HB2 GLN 4 HB2 GLN 4 -10.351 9.807 -6.778 28 HB3 GLN 4 HB1 GLN 4 -10.449 11.285 -5.818 29 HG2 GLN 4 HG2 GLN 4 -11.913 12.313 -7.479 30 HG3 GLN 4 HG1 GLN 4 -11.751 10.905 -8.529 31 HE21 GLN 4 HE21 GLN 4 -14.179 12.086 -7.051 32 HE22 GLN 4 HE22 GLN 4 -14.827 10.766 -6.205 33 H LEU 5 HN LEU 5 -7.735 13.293 -6.744 34 HA LEU 5 HA LEU 5 -5.541 11.455 -6.032 35 HB2 LEU 5 HB2 LEU 5 -5.727 14.460 -5.660 36 HB3 LEU 5 HB1 LEU 5 -4.263 13.478 -5.605 37 HG LEU 5 HG LEU 5 -6.051 13.894 -8.018 38 HD11 LEU 5 HD11 LEU 5 -4.573 15.811 -7.356 39 HD12 LEU 5 HD12 LEU 5 -4.184 15.135 -8.937 40 HD13 LEU 5 HD13 LEU 5 -3.180 14.744 -7.540 41 HD21 LEU 5 HD21 LEU 5 -3.698 12.078 -7.500 42 HD22 LEU 5 HD22 LEU 5 -3.995 12.697 -9.125 43 HD23 LEU 5 HD23 LEU 5 -5.220 11.724 -8.317 44 H THR 6 HN THR 6 -5.166 10.739 -3.998 45 HA THR 6 HA THR 6 -6.625 12.049 -1.717 46 HB THR 6 HB THR 6 -6.062 9.090 -2.087 47 HG1 THR 6 HG1 THR 6 -8.635 9.736 -1.844 48 HG21 THR 6 HG21 THR 6 -7.377 10.722 0.089 49 HG22 THR 6 HG22 THR 6 -6.042 9.580 0.242 50 HG23 THR 6 HG23 THR 6 -7.671 8.993 -0.094 51 H LYS 7 HN LYS 7 -5.395 12.433 0.095 52 HA LYS 7 HA LYS 7 -2.474 11.933 -0.168 53 HB2 LYS 7 HB2 LYS 7 -4.165 13.782 1.516 54 HB3 LYS 7 HB1 LYS 7 -2.481 13.477 1.924 55 HG2 LYS 7 HG2 LYS 7 -2.548 15.455 0.548 56 HG3 LYS 7 HG1 LYS 7 -1.864 14.157 -0.429 57 HD2 LYS 7 HD2 LYS 7 -3.938 13.827 -1.592 58 HD3 LYS 7 HD1 LYS 7 -4.808 14.875 -0.471 59 HE2 LYS 7 HE2 LYS 7 -4.387 16.145 -2.482 60 HE3 LYS 7 HE1 LYS 7 -3.313 16.768 -1.230 61 HZ1 LYS 7 HZ1 LYS 7 -2.579 15.822 -3.698 62 HZ2 LYS 7 HZ2 LYS 7 -2.133 14.586 -2.621 63 HZ3 LYS 7 HZ3 LYS 7 -1.545 16.164 -2.397 64 H ILE 8 HN ILE 8 -1.288 10.969 1.541 65 HA ILE 8 HA ILE 8 -2.405 8.659 2.713 66 HB ILE 8 HB ILE 8 -0.001 10.302 3.556 67 HG12 ILE 8 HG12 ILE 8 -0.076 7.701 2.013 68 HG13 ILE 8 HG11 ILE 8 -0.094 9.274 1.213 69 HG21 ILE 8 HG21 ILE 8 0.728 8.073 4.571 70 HG22 ILE 8 HG22 ILE 8 -0.948 7.556 4.397 71 HG23 ILE 8 HG23 ILE 8 -0.551 8.929 5.430 72 HD11 ILE 8 HD11 ILE 8 2.210 8.487 1.360 73 HD12 ILE 8 HD12 ILE 8 2.044 8.241 3.097 74 HD13 ILE 8 HD13 ILE 8 2.003 9.872 2.432 75 H VAL 9 HN VAL 9 -1.815 11.854 4.145 76 HA VAL 9 HA VAL 9 -2.812 11.182 6.759 77 HB VAL 9 HB VAL 9 -1.403 13.207 6.159 78 HG11 VAL 9 HG11 VAL 9 -2.977 13.758 4.178 79 HG12 VAL 9 HG12 VAL 9 -2.381 15.105 5.147 80 HG13 VAL 9 HG13 VAL 9 -4.021 14.501 5.389 81 HG21 VAL 9 HG21 VAL 9 -3.995 13.810 7.618 82 HG22 VAL 9 HG22 VAL 9 -2.447 14.627 7.840 83 HG23 VAL 9 HG23 VAL 9 -2.633 12.941 8.326 84 H ASP 10 HN ASP 10 -4.354 11.798 3.743 85 HA ASP 10 HA ASP 10 -6.951 12.532 4.938 86 HB2 ASP 10 HB2 ASP 10 -6.135 13.494 2.758 87 HB3 ASP 10 HB1 ASP 10 -6.282 11.886 2.052 88 H ILE 11 HN ILE 11 -5.322 9.702 4.758 89 HA ILE 11 HA ILE 11 -7.524 7.998 3.791 90 HB ILE 11 HB ILE 11 -4.834 7.359 5.036 91 HG12 ILE 11 HG12 ILE 11 -5.852 7.001 2.200 92 HG13 ILE 11 HG11 ILE 11 -4.856 8.355 2.732 93 HG21 ILE 11 HG21 ILE 11 -6.326 5.543 5.586 94 HG22 ILE 11 HG22 ILE 11 -5.337 5.019 4.229 95 HG23 ILE 11 HG23 ILE 11 -7.001 5.534 3.955 96 HD11 ILE 11 HD11 ILE 11 -4.109 5.423 2.678 97 HD12 ILE 11 HD12 ILE 11 -3.163 6.631 3.544 98 HD13 ILE 11 HD13 ILE 11 -3.349 6.744 1.792 99 H VAL 12 HN VAL 12 -9.191 7.459 5.122 100 HA VAL 12 HA VAL 12 -8.635 6.993 8.010 101 HB VAL 12 HB VAL 12 -9.518 9.182 8.115 102 HG11 VAL 12 HG11 VAL 12 -10.127 9.530 5.824 103 HG12 VAL 12 HG12 VAL 12 -11.583 9.809 6.780 104 HG13 VAL 12 HG13 VAL 12 -11.380 8.292 5.903 105 HG21 VAL 12 HG21 VAL 12 -12.064 7.560 8.205 106 HG22 VAL 12 HG22 VAL 12 -11.610 8.936 9.210 107 HG23 VAL 12 HG23 VAL 12 -10.809 7.381 9.431 108 H GLU 13 HN GLU 13 -9.849 5.850 5.129 109 HA GLU 13 HA GLU 13 -11.518 3.809 6.548 110 HB2 GLU 13 HB2 GLU 13 -12.216 5.288 3.994 111 HB3 GLU 13 HB1 GLU 13 -13.053 3.836 4.549 112 HG2 GLU 13 HG2 GLU 13 -13.671 4.964 6.638 113 HG3 GLU 13 HG1 GLU 13 -12.790 6.406 6.138 114 H ASN 14 HN ASN 14 -11.089 1.741 5.902 115 HA ASN 14 HA ASN 14 -8.978 1.378 3.832 116 HB2 ASN 14 HB2 ASN 14 -8.678 -0.838 4.799 117 HB3 ASN 14 HB1 ASN 14 -8.664 0.370 6.083 118 HD21 ASN 14 HD21 ASN 14 -9.715 -0.548 7.848 119 HD22 ASN 14 HD22 ASN 14 -11.193 -1.379 7.775 120 H GLY 15 HN GLY 15 -9.222 -0.302 2.208 121 HA2 GLY 15 HA2 GLY 15 -10.447 -1.691 0.737 122 HA3 GLY 15 HA1 GLY 15 -11.858 -1.496 1.777 123 H GLN 16 HN GLN 16 -10.242 1.399 0.850 124 HA GLN 16 HA GLN 16 -12.516 2.075 -0.973 125 HB2 GLN 16 HB2 GLN 16 -11.785 4.434 -0.593 126 HB3 GLN 16 HB1 GLN 16 -12.268 3.610 0.890 127 HG2 GLN 16 HG2 GLN 16 -9.926 3.170 1.447 128 HG3 GLN 16 HG1 GLN 16 -9.406 3.906 -0.072 129 HE21 GLN 16 HE21 GLN 16 -8.877 4.808 2.787 130 HE22 GLN 16 HE22 GLN 16 -9.444 6.405 2.851 131 H TRP 17 HN TRP 17 -11.993 3.325 -2.916 132 HA TRP 17 HA TRP 17 -9.373 2.490 -4.100 133 HB2 TRP 17 HB2 TRP 17 -12.000 3.286 -5.380 134 HB3 TRP 17 HB1 TRP 17 -10.520 2.951 -6.282 135 HD1 TRP 17 HD1 TRP 17 -13.365 1.279 -4.486 136 HE1 TRP 17 HE1 TRP 17 -13.126 -1.281 -4.676 137 HE3 TRP 17 HE3 TRP 17 -8.661 0.974 -6.452 138 HZ2 TRP 17 HZ2 TRP 17 -11.196 -3.203 -5.547 139 HZ3 TRP 17 HZ3 TRP 17 -7.648 -1.232 -6.952 140 HH2 TRP 17 HH2 TRP 17 -8.909 -3.319 -6.503 141 H ALA 18 HN ALA 18 -7.941 4.025 -4.770 142 HA ALA 18 HA ALA 18 -8.796 6.784 -5.282 143 HB1 ALA 18 HB1 ALA 18 -7.408 7.822 -3.548 144 HB2 ALA 18 HB2 ALA 18 -6.925 6.234 -2.954 145 HB3 ALA 18 HB3 ALA 18 -8.602 6.759 -2.804 146 H ASN 19 HN ASN 19 -6.660 8.165 -5.604 147 HA ASN 19 HA ASN 19 -4.533 6.475 -6.878 148 HB2 ASN 19 HB2 ASN 19 -5.921 7.221 -8.714 149 HB3 ASN 19 HB1 ASN 19 -5.968 8.864 -8.079 150 HD21 ASN 19 HD21 ASN 19 -4.395 10.269 -8.884 151 HD22 ASN 19 HD22 ASN 19 -2.985 9.791 -9.694 152 H LEU 20 HN LEU 20 -2.455 7.250 -6.493 153 HA LEU 20 HA LEU 20 -2.071 10.033 -5.602 154 HB2 LEU 20 HB2 LEU 20 -2.672 8.876 -3.494 155 HB3 LEU 20 HB1 LEU 20 -1.376 7.715 -3.770 156 HG LEU 20 HG LEU 20 0.290 9.539 -3.688 157 HD11 LEU 20 HD11 LEU 20 -2.188 11.231 -3.502 158 HD12 LEU 20 HD12 LEU 20 -0.703 11.515 -4.401 159 HD13 LEU 20 HD13 LEU 20 -0.735 11.768 -2.658 160 HD21 LEU 20 HD21 LEU 20 -1.620 9.451 -1.335 161 HD22 LEU 20 HD22 LEU 20 0.031 10.067 -1.270 162 HD23 LEU 20 HD23 LEU 20 -0.262 8.364 -1.622 163 H LYS 21 HN LYS 21 0.065 10.708 -5.809 164 HA LYS 21 HA LYS 21 1.882 8.799 -7.228 165 HB2 LYS 21 HB2 LYS 21 1.210 10.981 -8.355 166 HB3 LYS 21 HB1 LYS 21 2.102 11.817 -7.088 167 HG2 LYS 21 HG2 LYS 21 4.169 10.805 -7.738 168 HG3 LYS 21 HG1 LYS 21 3.356 9.661 -8.802 169 HD2 LYS 21 HD2 LYS 21 4.434 11.578 -10.018 170 HD3 LYS 21 HD1 LYS 21 2.705 11.429 -10.318 171 HE2 LYS 21 HE2 LYS 21 2.186 13.262 -8.917 172 HE3 LYS 21 HE1 LYS 21 3.771 13.227 -8.141 173 HZ1 LYS 21 HZ1 LYS 21 3.078 14.826 -10.206 174 HZ2 LYS 21 HZ2 LYS 21 3.885 13.557 -10.994 175 HZ3 LYS 21 HZ3 LYS 21 4.669 14.435 -9.769 176 H ALA 22 HN ALA 22 3.909 8.401 -6.383 177 HA ALA 22 HA ALA 22 4.874 9.988 -4.079 178 HB1 ALA 22 HB1 ALA 22 3.294 8.132 -3.248 179 HB2 ALA 22 HB2 ALA 22 4.884 8.244 -2.494 180 HB3 ALA 22 HB3 ALA 22 4.572 7.011 -3.717 181 H LYS 23 HN LYS 23 7.015 9.406 -3.404 182 HA LYS 23 HA LYS 23 8.652 8.325 -5.668 183 HB2 LYS 23 HB2 LYS 23 9.072 10.666 -4.827 184 HB3 LYS 23 HB1 LYS 23 9.619 9.950 -3.311 185 HG2 LYS 23 HG2 LYS 23 11.368 8.721 -4.467 186 HG3 LYS 23 HG1 LYS 23 10.774 9.282 -6.032 187 HD2 LYS 23 HD2 LYS 23 11.242 11.618 -5.365 188 HD3 LYS 23 HD1 LYS 23 11.871 11.043 -3.821 189 HE2 LYS 23 HE2 LYS 23 12.975 10.305 -6.548 190 HE3 LYS 23 HE1 LYS 23 13.698 11.464 -5.433 191 HZ1 LYS 23 HZ1 LYS 23 13.416 8.541 -5.122 192 HZ2 LYS 23 HZ2 LYS 23 13.658 9.549 -3.776 193 HZ3 LYS 23 HZ3 LYS 23 14.819 9.487 -5.015 194 H VAL 24 HN VAL 24 10.416 6.847 -5.199 195 HA VAL 24 HA VAL 24 9.763 5.076 -2.911 196 HB VAL 24 HB VAL 24 11.804 4.665 -5.106 197 HG11 VAL 24 HG11 VAL 24 12.086 3.157 -3.229 198 HG12 VAL 24 HG12 VAL 24 11.326 2.257 -4.543 199 HG13 VAL 24 HG13 VAL 24 10.354 2.822 -3.183 200 HG21 VAL 24 HG21 VAL 24 9.600 5.079 -6.099 201 HG22 VAL 24 HG22 VAL 24 8.867 3.913 -4.997 202 HG23 VAL 24 HG23 VAL 24 10.002 3.367 -6.231 203 H ILE 25 HN ILE 25 10.692 5.896 -1.061 204 HA ILE 25 HA ILE 25 13.421 7.000 -1.105 205 HB ILE 25 HB ILE 25 13.042 7.116 1.407 206 HG12 ILE 25 HG12 ILE 25 10.209 6.404 0.607 207 HG13 ILE 25 HG11 ILE 25 11.322 5.255 1.352 208 HG21 ILE 25 HG21 ILE 25 11.238 8.913 1.113 209 HG22 ILE 25 HG22 ILE 25 11.219 8.464 -0.593 210 HG23 ILE 25 HG23 ILE 25 12.694 9.098 0.137 211 HD11 ILE 25 HD11 ILE 25 10.346 7.867 2.533 212 HD12 ILE 25 HD12 ILE 25 11.615 6.873 3.248 213 HD13 ILE 25 HD13 ILE 25 9.974 6.241 3.106 214 H GLN 26 HN GLN 26 11.893 3.952 -0.434 215 HA GLN 26 HA GLN 26 14.549 2.718 -0.085 216 HB2 GLN 26 HB2 GLN 26 13.832 3.366 2.227 217 HB3 GLN 26 HB1 GLN 26 12.387 2.373 2.019 218 HG2 GLN 26 HG2 GLN 26 13.713 0.373 1.761 219 HG3 GLN 26 HG1 GLN 26 15.207 1.310 1.720 220 HE21 GLN 26 HE21 GLN 26 16.278 1.372 3.690 221 HE22 GLN 26 HE22 GLN 26 15.541 1.218 5.211 222 H LEU 27 HN LEU 27 14.548 0.705 -1.009 223 HA LEU 27 HA LEU 27 11.902 -0.486 -1.775 224 HB2 LEU 27 HB2 LEU 27 13.172 0.351 -3.717 225 HB3 LEU 27 HB1 LEU 27 14.562 -0.621 -3.233 226 HG LEU 27 HG LEU 27 13.204 -2.670 -3.486 227 HD11 LEU 27 HD11 LEU 27 10.964 -2.119 -3.130 228 HD12 LEU 27 HD12 LEU 27 11.000 -2.235 -4.887 229 HD13 LEU 27 HD13 LEU 27 11.058 -0.653 -4.107 230 HD21 LEU 27 HD21 LEU 27 13.421 -0.771 -5.825 231 HD22 LEU 27 HD22 LEU 27 12.889 -2.441 -6.027 232 HD23 LEU 27 HD23 LEU 27 14.499 -2.100 -5.392 233 H TRP 28 HN TRP 28 11.698 -2.751 -1.561 234 HA TRP 28 HA TRP 28 13.990 -4.277 -0.477 235 HB2 TRP 28 HB2 TRP 28 11.421 -3.729 1.017 236 HB3 TRP 28 HB1 TRP 28 12.367 -5.183 1.336 237 HD1 TRP 28 HD1 TRP 28 12.189 -1.560 2.159 238 HE1 TRP 28 HE1 TRP 28 14.253 -0.864 3.537 239 HE3 TRP 28 HE3 TRP 28 15.098 -5.710 1.555 240 HZ2 TRP 28 HZ2 TRP 28 16.804 -1.924 4.284 241 HZ3 TRP 28 HZ3 TRP 28 17.338 -5.842 2.608 242 HH2 TRP 28 HH2 TRP 28 18.193 -3.956 3.970 243 H GLU 29 HN GLU 29 14.001 -6.244 -1.394 244 HA GLU 29 HA GLU 29 11.714 -7.069 -3.063 245 HB2 GLU 29 HB2 GLU 29 13.223 -8.884 -3.805 246 HB3 GLU 29 HB1 GLU 29 14.005 -7.309 -3.933 247 HG2 GLU 29 HG2 GLU 29 15.661 -8.624 -2.908 248 HG3 GLU 29 HG1 GLU 29 14.908 -7.813 -1.536 249 H ASN 30 HN ASN 30 10.362 -8.823 -2.628 250 HA ASN 30 HA ASN 30 10.579 -9.979 0.126 251 HB2 ASN 30 HB2 ASN 30 8.442 -8.885 -0.481 252 HB3 ASN 30 HB1 ASN 30 8.272 -9.987 -1.848 253 HD21 ASN 30 HD21 ASN 30 7.926 -9.692 1.624 254 HD22 ASN 30 HD22 ASN 30 7.331 -11.258 1.895 255 H THR 31 HN THR 31 11.186 -12.089 0.339 256 HA THR 31 HA THR 31 11.459 -13.732 -2.144 257 HB THR 31 HB THR 31 12.835 -15.209 -0.598 258 HG1 THR 31 HG1 THR 31 13.533 -13.845 1.292 259 HG21 THR 31 HG21 THR 31 14.778 -13.792 -0.721 260 HG22 THR 31 HG22 THR 31 13.784 -12.336 -0.729 261 HG23 THR 31 HG23 THR 31 13.776 -13.416 -2.124 262 H HIS 32 HN HIS 32 9.320 -13.253 0.368 263 HA HIS 32 HA HIS 32 8.554 -16.047 0.802 264 HB2 HIS 32 HB2 HIS 32 8.194 -14.508 2.624 265 HB3 HIS 32 HB1 HIS 32 7.284 -13.409 1.590 266 HD1 HIS 32 HD1 HIS 32 7.037 -16.881 3.114 267 HD2 HIS 32 HD2 HIS 32 4.566 -14.001 1.389 268 HE1 HIS 32 HE1 HIS 32 4.658 -17.685 3.447 269 H GLU 33 HN GLU 33 7.173 -17.182 -0.463 270 HA GLU 33 HA GLU 33 6.241 -16.325 -2.967 271 HB2 GLU 33 HB2 GLU 33 6.327 -18.704 -2.160 272 HB3 GLU 33 HB1 GLU 33 4.882 -18.384 -1.203 273 HG2 GLU 33 HG2 GLU 33 3.567 -17.966 -3.169 274 HG3 GLU 33 HG1 GLU 33 5.000 -17.946 -4.198 275 H SER 34 HN SER 34 3.880 -16.107 -3.619 276 HA SER 34 HA SER 34 1.766 -15.109 -3.412 277 HB2 SER 34 HB2 SER 34 2.110 -14.503 -0.498 278 HB3 SER 34 HB1 SER 34 0.701 -15.122 -1.357 279 HG SER 34 HG SER 34 1.536 -16.793 -0.175 280 H ILE 35 HN ILE 35 4.305 -13.571 -1.404 281 HA ILE 35 HA ILE 35 3.331 -10.903 -2.275 282 HB ILE 35 HB ILE 35 5.444 -11.744 -0.271 283 HG12 ILE 35 HG12 ILE 35 2.718 -10.493 0.170 284 HG13 ILE 35 HG11 ILE 35 3.020 -12.228 0.276 285 HG21 ILE 35 HG21 ILE 35 5.240 -9.299 0.403 286 HG22 ILE 35 HG22 ILE 35 4.370 -9.040 -1.109 287 HG23 ILE 35 HG23 ILE 35 6.046 -9.590 -1.138 288 HD11 ILE 35 HD11 ILE 35 4.252 -10.051 1.981 289 HD12 ILE 35 HD12 ILE 35 4.809 -11.724 1.987 290 HD13 ILE 35 HD13 ILE 35 3.171 -11.338 2.512 291 H SER 36 HN SER 36 4.450 -9.707 -3.742 292 HA SER 36 HA SER 36 6.742 -10.967 -5.116 293 HB2 SER 36 HB2 SER 36 6.376 -9.336 -6.817 294 HB3 SER 36 HB1 SER 36 4.769 -9.794 -6.260 295 HG SER 36 HG SER 36 4.566 -7.724 -5.943 296 H GLN 37 HN GLN 37 6.068 -7.747 -3.684 297 HA GLN 37 HA GLN 37 8.750 -7.689 -2.503 298 HB2 GLN 37 HB2 GLN 37 9.375 -5.560 -3.678 299 HB3 GLN 37 HB1 GLN 37 9.322 -6.966 -4.744 300 HG2 GLN 37 HG2 GLN 37 7.117 -6.336 -5.544 301 HG3 GLN 37 HG1 GLN 37 7.040 -5.005 -4.391 302 HE21 GLN 37 HE21 GLN 37 7.032 -4.931 -7.420 303 HE22 GLN 37 HE22 GLN 37 8.326 -3.914 -7.835 304 H VAL 38 HN VAL 38 9.089 -5.634 -1.305 305 HA VAL 38 HA VAL 38 6.590 -4.156 -0.623 306 HB VAL 38 HB VAL 38 7.073 -4.415 1.803 307 HG11 VAL 38 HG11 VAL 38 6.137 -6.618 1.995 308 HG12 VAL 38 HG12 VAL 38 6.811 -7.105 0.440 309 HG13 VAL 38 HG13 VAL 38 5.503 -5.925 0.502 310 HG21 VAL 38 HG21 VAL 38 9.227 -6.251 0.725 311 HG22 VAL 38 HG22 VAL 38 8.616 -6.387 2.372 312 HG23 VAL 38 HG23 VAL 38 9.410 -4.903 1.847 313 H GLY 39 HN GLY 39 7.097 -2.134 0.587 314 HA2 GLY 39 HA2 GLY 39 9.793 -1.273 1.019 315 HA3 GLY 39 HA1 GLY 39 9.269 -0.714 -0.567 316 H LEU 40 HN LEU 40 9.620 1.421 0.530 317 HA LEU 40 HA LEU 40 7.156 2.290 2.012 318 HB2 LEU 40 HB2 LEU 40 10.027 3.204 2.342 319 HB3 LEU 40 HB1 LEU 40 8.650 4.011 3.088 320 HG LEU 40 HG LEU 40 9.017 1.044 3.515 321 HD11 LEU 40 HD11 LEU 40 11.205 2.039 4.037 322 HD12 LEU 40 HD12 LEU 40 10.386 1.530 5.514 323 HD13 LEU 40 HD13 LEU 40 10.426 3.237 5.068 324 HD21 LEU 40 HD21 LEU 40 7.940 1.586 5.672 325 HD22 LEU 40 HD22 LEU 40 6.960 2.167 4.328 326 HD23 LEU 40 HD23 LEU 40 7.948 3.298 5.251 327 H LEU 41 HN LEU 41 6.284 4.276 1.381 328 HA LEU 41 HA LEU 41 7.336 5.376 -1.205 329 HB2 LEU 41 HB2 LEU 41 4.564 5.640 -0.002 330 HB3 LEU 41 HB1 LEU 41 5.062 6.108 -1.625 331 HG LEU 41 HG LEU 41 5.063 3.291 -0.520 332 HD11 LEU 41 HD11 LEU 41 2.804 4.103 -0.974 333 HD12 LEU 41 HD12 LEU 41 3.268 2.927 -2.203 334 HD13 LEU 41 HD13 LEU 41 3.297 4.651 -2.575 335 HD21 LEU 41 HD21 LEU 41 5.433 2.828 -3.075 336 HD22 LEU 41 HD22 LEU 41 6.813 3.303 -2.090 337 HD23 LEU 41 HD23 LEU 41 6.017 4.493 -3.119 338 H GLY 42 HN GLY 42 8.230 7.353 -1.087 339 HA2 GLY 42 HA2 GLY 42 7.915 8.940 1.403 340 HA3 GLY 42 HA1 GLY 42 9.135 9.199 0.160 341 H ASP 43 HN ASP 43 5.961 10.017 1.225 342 HA ASP 43 HA ASP 43 5.478 11.646 -1.242 343 HB2 ASP 43 HB2 ASP 43 3.638 10.690 0.958 344 HB3 ASP 43 HB1 ASP 43 3.162 11.885 -0.249 345 H GLU 44 HN GLU 44 4.543 13.832 -0.827 346 HA GLU 44 HA GLU 44 6.213 15.319 1.001 347 HB2 GLU 44 HB2 GLU 44 5.363 16.225 -1.153 348 HB3 GLU 44 HB1 GLU 44 3.727 16.198 -0.496 349 HG2 GLU 44 HG2 GLU 44 4.388 17.764 1.274 350 HG3 GLU 44 HG1 GLU 44 6.048 17.762 0.673 351 H THR 45 HN THR 45 3.143 13.752 1.321 352 HA THR 45 HA THR 45 2.336 15.417 3.632 353 HB THR 45 HB THR 45 0.312 14.094 3.625 354 HG1 THR 45 HG1 THR 45 0.315 12.134 2.890 355 HG21 THR 45 HG21 THR 45 -0.511 14.608 1.437 356 HG22 THR 45 HG22 THR 45 1.099 14.483 0.732 357 HG23 THR 45 HG23 THR 45 0.709 15.826 1.805 358 H GLY 46 HN GLY 46 4.281 12.692 3.059 359 HA2 GLY 46 HA2 GLY 46 5.290 12.232 5.517 360 HA3 GLY 46 HA1 GLY 46 3.722 11.441 5.682 361 H ILE 47 HN ILE 47 4.583 9.353 5.851 362 HA ILE 47 HA ILE 47 5.652 8.209 3.299 363 HB ILE 47 HB ILE 47 6.659 7.617 6.099 364 HG12 ILE 47 HG12 ILE 47 8.151 8.724 3.707 365 HG13 ILE 47 HG11 ILE 47 7.446 9.749 4.955 366 HG21 ILE 47 HG21 ILE 47 8.315 6.190 4.781 367 HG22 ILE 47 HG22 ILE 47 7.237 6.376 3.397 368 HG23 ILE 47 HG23 ILE 47 6.667 5.567 4.857 369 HD11 ILE 47 HD11 ILE 47 8.831 8.762 6.657 370 HD12 ILE 47 HD12 ILE 47 9.885 9.192 5.310 371 HD13 ILE 47 HD13 ILE 47 9.398 7.514 5.548 372 H ILE 48 HN ILE 48 5.154 5.927 3.033 373 HA ILE 48 HA ILE 48 3.370 4.658 4.999 374 HB ILE 48 HB ILE 48 1.777 6.021 3.748 375 HG12 ILE 48 HG12 ILE 48 1.591 3.163 2.767 376 HG13 ILE 48 HG11 ILE 48 1.239 3.637 4.430 377 HG21 ILE 48 HG21 ILE 48 3.105 6.316 1.699 378 HG22 ILE 48 HG22 ILE 48 1.502 5.694 1.313 379 HG23 ILE 48 HG23 ILE 48 2.893 4.611 1.306 380 HD11 ILE 48 HD11 ILE 48 -0.840 3.582 3.154 381 HD12 ILE 48 HD12 ILE 48 -0.155 4.659 1.938 382 HD13 ILE 48 HD13 ILE 48 -0.458 5.252 3.571 383 H LYS 49 HN LYS 49 3.221 2.397 4.680 384 HA LYS 49 HA LYS 49 5.323 1.262 2.947 385 HB2 LYS 49 HB2 LYS 49 5.053 0.513 5.303 386 HB3 LYS 49 HB1 LYS 49 3.451 -0.103 4.899 387 HG2 LYS 49 HG2 LYS 49 4.422 -1.635 3.258 388 HG3 LYS 49 HG1 LYS 49 6.031 -0.987 3.578 389 HD2 LYS 49 HD2 LYS 49 5.846 -1.718 5.936 390 HD3 LYS 49 HD1 LYS 49 4.256 -2.398 5.589 391 HE2 LYS 49 HE2 LYS 49 6.849 -3.224 4.255 392 HE3 LYS 49 HE1 LYS 49 6.001 -4.141 5.500 393 HZ1 LYS 49 HZ1 LYS 49 5.516 -4.893 3.215 394 HZ2 LYS 49 HZ2 LYS 49 4.820 -3.379 2.885 395 HZ3 LYS 49 HZ3 LYS 49 4.130 -4.397 4.057 396 H PHE 50 HN PHE 50 4.857 -0.495 1.351 397 HA PHE 50 HA PHE 50 2.019 -0.855 0.655 398 HB2 PHE 50 HB2 PHE 50 2.277 -0.113 -1.602 399 HB3 PHE 50 HB1 PHE 50 3.023 1.157 -0.634 400 HD1 PHE 50 HD1 PHE 50 5.575 1.055 -0.264 401 HD2 PHE 50 HD2 PHE 50 3.526 -1.256 -3.249 402 HE1 PHE 50 HE1 PHE 50 7.708 0.735 -1.482 403 HE2 PHE 50 HE2 PHE 50 5.664 -1.586 -4.461 404 HZ PHE 50 HZ PHE 50 7.757 -0.594 -3.577 405 H THR 51 HN THR 51 1.738 -2.750 -0.680 406 HA THR 51 HA THR 51 4.175 -4.468 -0.992 407 HB THR 51 HB THR 51 2.909 -5.057 1.105 408 HG1 THR 51 HG1 THR 51 2.636 -7.086 -0.830 409 HG21 THR 51 HG21 THR 51 0.714 -5.921 1.001 410 HG22 THR 51 HG22 THR 51 0.765 -6.061 -0.757 411 HG23 THR 51 HG23 THR 51 0.668 -4.470 -0.000 412 H ILE 52 HN ILE 52 4.258 -5.437 -2.930 413 HA ILE 52 HA ILE 52 1.884 -5.201 -4.741 414 HB ILE 52 HB ILE 52 4.805 -5.711 -5.372 415 HG12 ILE 52 HG12 ILE 52 3.091 -3.282 -5.948 416 HG13 ILE 52 HG11 ILE 52 4.137 -3.408 -4.537 417 HG21 ILE 52 HG21 ILE 52 3.979 -5.221 -7.732 418 HG22 ILE 52 HG22 ILE 52 2.340 -5.417 -7.108 419 HG23 ILE 52 HG23 ILE 52 3.470 -6.770 -7.061 420 HD11 ILE 52 HD11 ILE 52 5.209 -3.870 -7.320 421 HD12 ILE 52 HD12 ILE 52 6.098 -3.461 -5.854 422 HD13 ILE 52 HD13 ILE 52 5.092 -2.248 -6.640 423 H TRP 53 HN TRP 53 0.779 -7.011 -5.303 424 HA TRP 53 HA TRP 53 1.698 -9.597 -4.274 425 HB2 TRP 53 HB2 TRP 53 -0.780 -8.694 -5.757 426 HB3 TRP 53 HB1 TRP 53 -0.493 -10.376 -5.309 427 HD1 TRP 53 HD1 TRP 53 -1.319 -6.972 -3.839 428 HE1 TRP 53 HE1 TRP 53 -1.974 -7.264 -1.362 429 HE3 TRP 53 HE3 TRP 53 -0.125 -11.891 -3.191 430 HZ2 TRP 53 HZ2 TRP 53 -1.988 -9.320 0.632 431 HZ3 TRP 53 HZ3 TRP 53 -0.468 -12.992 -0.999 432 HH2 TRP 53 HH2 TRP 53 -1.397 -11.715 0.912 433 H LYS 54 HN LYS 54 2.350 -11.343 -5.493 434 HA LYS 54 HA LYS 54 3.666 -10.910 -7.981 435 HB2 LYS 54 HB2 LYS 54 2.676 -13.461 -6.671 436 HB3 LYS 54 HB1 LYS 54 3.709 -13.425 -8.100 437 HG2 LYS 54 HG2 LYS 54 5.455 -12.257 -6.869 438 HG3 LYS 54 HG1 LYS 54 4.410 -12.120 -5.457 439 HD2 LYS 54 HD2 LYS 54 5.819 -13.971 -4.983 440 HD3 LYS 54 HD1 LYS 54 4.289 -14.684 -5.485 441 HE2 LYS 54 HE2 LYS 54 5.144 -15.197 -7.669 442 HE3 LYS 54 HE1 LYS 54 6.587 -14.217 -7.404 443 HZ1 LYS 54 HZ1 LYS 54 7.130 -16.511 -7.094 444 HZ2 LYS 54 HZ2 LYS 54 5.854 -16.725 -5.994 445 HZ3 LYS 54 HZ3 LYS 54 7.180 -15.746 -5.582 446 H ASN 55 HN ASN 55 0.414 -12.028 -7.198 447 HA ASN 55 HA ASN 55 -0.338 -12.986 -9.760 448 HB2 ASN 55 HB2 ASN 55 -2.659 -12.550 -9.022 449 HB3 ASN 55 HB1 ASN 55 -1.714 -13.317 -7.745 450 HD21 ASN 55 HD21 ASN 55 -3.453 -12.244 -6.314 451 HD22 ASN 55 HD22 ASN 55 -3.191 -10.636 -5.837 452 H ALA 56 HN ALA 56 0.535 -9.846 -8.847 453 HA ALA 56 HA ALA 56 -1.199 -8.470 -10.792 454 HB1 ALA 56 HB1 ALA 56 -0.248 -6.468 -9.989 455 HB2 ALA 56 HB2 ALA 56 1.244 -7.264 -9.487 456 HB3 ALA 56 HB3 ALA 56 -0.238 -7.506 -8.565 457 H GLU 57 HN GLU 57 1.971 -9.898 -10.642 458 HA GLU 57 HA GLU 57 3.743 -9.947 -12.197 459 HB2 GLU 57 HB2 GLU 57 1.294 -10.171 -13.972 460 HB3 GLU 57 HB1 GLU 57 2.936 -10.552 -14.490 461 HG2 GLU 57 HG2 GLU 57 1.536 -11.866 -12.144 462 HG3 GLU 57 HG1 GLU 57 1.653 -12.573 -13.756 463 H LEU 58 HN LEU 58 3.336 -7.318 -11.465 464 HA LEU 58 HA LEU 58 3.235 -5.779 -13.997 465 HB2 LEU 58 HB2 LEU 58 2.515 -5.238 -11.221 466 HB3 LEU 58 HB1 LEU 58 3.542 -3.962 -11.868 467 HG LEU 58 HG LEU 58 2.003 -3.869 -13.873 468 HD11 LEU 58 HD11 LEU 58 0.409 -5.739 -12.110 469 HD12 LEU 58 HD12 LEU 58 0.915 -6.000 -13.777 470 HD13 LEU 58 HD13 LEU 58 -0.321 -4.799 -13.410 471 HD21 LEU 58 HD21 LEU 58 0.166 -2.723 -12.559 472 HD22 LEU 58 HD22 LEU 58 1.806 -2.182 -12.210 473 HD23 LEU 58 HD23 LEU 58 0.986 -3.276 -11.099 474 HA PRO 59 HA PRO 59 7.589 -4.978 -14.206 475 HB2 PRO 59 HB2 PRO 59 7.156 -2.025 -14.058 476 HB3 PRO 59 HB1 PRO 59 7.915 -2.988 -15.342 477 HG2 PRO 59 HG2 PRO 59 5.478 -1.914 -15.634 478 HG3 PRO 59 HG1 PRO 59 5.903 -3.484 -16.340 479 HD2 PRO 59 HD2 PRO 59 4.246 -2.896 -13.910 480 HD3 PRO 59 HD1 PRO 59 4.066 -4.170 -15.134 481 H LEU 60 HN LEU 60 9.392 -4.572 -12.842 482 HA LEU 60 HA LEU 60 8.832 -4.239 -10.025 483 HB2 LEU 60 HB2 LEU 60 11.488 -4.173 -11.488 484 HB3 LEU 60 HB1 LEU 60 11.257 -4.455 -9.761 485 HG LEU 60 HG LEU 60 10.173 -6.210 -11.985 486 HD11 LEU 60 HD11 LEU 60 12.405 -6.744 -10.006 487 HD12 LEU 60 HD12 LEU 60 12.655 -6.289 -11.691 488 HD13 LEU 60 HD13 LEU 60 11.865 -7.816 -11.298 489 HD21 LEU 60 HD21 LEU 60 8.681 -6.532 -10.206 490 HD22 LEU 60 HD22 LEU 60 9.914 -6.244 -8.979 491 HD23 LEU 60 HD23 LEU 60 9.893 -7.765 -9.873 492 H LEU 61 HN LEU 61 9.192 -2.469 -8.710 493 HA LEU 61 HA LEU 61 9.251 0.148 -10.009 494 HB2 LEU 61 HB2 LEU 61 9.050 -0.807 -7.148 495 HB3 LEU 61 HB1 LEU 61 9.204 0.906 -7.539 496 HG LEU 61 HG LEU 61 7.189 0.795 -8.931 497 HD11 LEU 61 HD11 LEU 61 5.838 -1.425 -8.687 498 HD12 LEU 61 HD12 LEU 61 7.389 -2.145 -8.270 499 HD13 LEU 61 HD13 LEU 61 7.164 -1.376 -9.842 500 HD21 LEU 61 HD21 LEU 61 6.769 1.337 -6.634 501 HD22 LEU 61 HD22 LEU 61 6.950 -0.345 -6.135 502 HD23 LEU 61 HD23 LEU 61 5.548 0.148 -7.085 503 H GLU 62 HN GLU 62 10.952 1.656 -9.897 504 HA GLU 62 HA GLU 62 13.607 0.512 -9.165 505 HB2 GLU 62 HB2 GLU 62 13.303 1.504 -11.426 506 HB3 GLU 62 HB1 GLU 62 12.919 3.051 -10.673 507 HG2 GLU 62 HG2 GLU 62 15.127 3.140 -9.636 508 HG3 GLU 62 HG1 GLU 62 15.518 1.542 -10.273 509 H GLN 63 HN GLN 63 14.702 1.250 -7.400 510 HA GLN 63 HA GLN 63 13.392 2.984 -5.507 511 HB2 GLN 63 HB2 GLN 63 15.008 1.145 -4.927 512 HB3 GLN 63 HB1 GLN 63 16.307 2.161 -5.557 513 HG2 GLN 63 HG2 GLN 63 15.718 3.924 -3.948 514 HG3 GLN 63 HG1 GLN 63 14.418 2.918 -3.312 515 HE21 GLN 63 HE21 GLN 63 15.965 3.385 -1.294 516 HE22 GLN 63 HE22 GLN 63 17.139 2.194 -1.003 517 H GLY 64 HN GLY 64 13.609 5.181 -5.197 518 HA2 GLY 64 HA2 GLY 64 14.764 7.286 -5.268 519 HA3 GLY 64 HA1 GLY 64 15.871 6.623 -6.468 520 H GLU 65 HN GLU 65 13.193 5.537 -7.741 521 HA GLU 65 HA GLU 65 12.817 7.944 -9.446 522 HB2 GLU 65 HB2 GLU 65 12.031 5.042 -9.814 523 HB3 GLU 65 HB1 GLU 65 11.659 6.321 -10.968 524 HG2 GLU 65 HG2 GLU 65 14.460 5.623 -10.039 525 HG3 GLU 65 HG1 GLU 65 13.743 5.054 -11.546 526 H SER 66 HN SER 66 10.678 8.527 -10.137 527 HA SER 66 HA SER 66 8.707 8.387 -7.922 528 HB2 SER 66 HB2 SER 66 8.977 10.134 -10.364 529 HB3 SER 66 HB1 SER 66 7.513 10.126 -9.385 530 HG SER 66 HG SER 66 9.562 11.566 -8.928 531 H TYR 67 HN TYR 67 6.598 7.613 -8.205 532 HA TYR 67 HA TYR 67 5.917 6.371 -10.825 533 HB2 TYR 67 HB2 TYR 67 5.994 4.941 -8.161 534 HB3 TYR 67 HB1 TYR 67 5.079 4.341 -9.542 535 HD1 TYR 67 HD1 TYR 67 6.301 3.896 -11.727 536 HD2 TYR 67 HD2 TYR 67 8.343 4.612 -8.018 537 HE1 TYR 67 HE1 TYR 67 8.361 2.885 -12.666 538 HE2 TYR 67 HE2 TYR 67 10.398 3.603 -8.958 539 HH TYR 67 HH TYR 67 10.403 1.991 -12.075 540 H LEU 68 HN LEU 68 3.750 6.095 -11.147 541 HA LEU 68 HA LEU 68 1.933 7.669 -9.339 542 HB2 LEU 68 HB2 LEU 68 2.021 8.530 -11.624 543 HB3 LEU 68 HB1 LEU 68 1.633 6.941 -12.267 544 HG LEU 68 HG LEU 68 -0.563 7.024 -11.166 545 HD11 LEU 68 HD11 LEU 68 0.526 9.604 -10.072 546 HD12 LEU 68 HD12 LEU 68 -0.278 8.292 -9.208 547 HD13 LEU 68 HD13 LEU 68 -1.213 9.367 -10.244 548 HD21 LEU 68 HD21 LEU 68 -0.090 9.620 -12.643 549 HD22 LEU 68 HD22 LEU 68 -1.569 8.660 -12.604 550 HD23 LEU 68 HD23 LEU 68 -0.147 8.055 -13.454 551 H LEU 69 HN LEU 69 0.286 6.573 -8.320 552 HA LEU 69 HA LEU 69 -0.067 3.672 -8.988 553 HB2 LEU 69 HB2 LEU 69 -0.776 5.158 -6.440 554 HB3 LEU 69 HB1 LEU 69 -0.749 3.415 -6.685 555 HG LEU 69 HG LEU 69 1.668 5.234 -6.867 556 HD11 LEU 69 HD11 LEU 69 0.892 5.027 -4.565 557 HD12 LEU 69 HD12 LEU 69 2.351 4.058 -4.774 558 HD13 LEU 69 HD13 LEU 69 0.771 3.275 -4.733 559 HD21 LEU 69 HD21 LEU 69 2.122 3.398 -8.281 560 HD22 LEU 69 HD22 LEU 69 1.240 2.267 -7.254 561 HD23 LEU 69 HD23 LEU 69 2.808 2.891 -6.740 562 H ARG 70 HN ARG 70 -1.808 3.596 -10.400 563 HA ARG 70 HA ARG 70 -4.193 5.317 -9.801 564 HB2 ARG 70 HB2 ARG 70 -3.592 3.715 -12.299 565 HB3 ARG 70 HB1 ARG 70 -4.839 4.946 -12.096 566 HG2 ARG 70 HG2 ARG 70 -3.010 6.609 -11.604 567 HG3 ARG 70 HG1 ARG 70 -1.846 5.354 -12.030 568 HD2 ARG 70 HD2 ARG 70 -4.036 6.319 -13.880 569 HD3 ARG 70 HD1 ARG 70 -2.372 6.897 -13.932 570 HE ARG 70 HE ARG 70 -2.291 4.065 -14.063 571 HH11 ARG 70 HH21 ARG 70 -3.416 6.799 -15.836 572 HH12 ARG 70 HH22 ARG 70 -3.224 6.042 -17.382 573 HH21 ARG 70 HH11 ARG 70 -2.032 3.063 -16.069 574 HH22 ARG 70 HH12 ARG 70 -2.440 3.926 -17.514 575 H SER 71 HN SER 71 -6.181 4.393 -9.382 576 HA SER 71 HA SER 71 -7.703 2.758 -8.726 577 HB2 SER 71 HB2 SER 71 -7.548 2.171 -11.128 578 HB3 SER 71 HB1 SER 71 -6.211 1.083 -10.769 579 HG SER 71 HG SER 71 -8.158 0.521 -9.084 580 H VAL 72 HN VAL 72 -6.049 2.904 -6.742 581 HA VAL 72 HA VAL 72 -5.057 0.114 -6.199 582 HB VAL 72 HB VAL 72 -3.724 1.342 -4.344 583 HG11 VAL 72 HG11 VAL 72 -2.845 0.420 -6.597 584 HG12 VAL 72 HG12 VAL 72 -1.875 1.641 -5.783 585 HG13 VAL 72 HG13 VAL 72 -2.891 2.095 -7.152 586 HG21 VAL 72 HG21 VAL 72 -3.291 3.698 -4.726 587 HG22 VAL 72 HG22 VAL 72 -5.035 3.469 -4.605 588 HG23 VAL 72 HG23 VAL 72 -4.282 3.686 -6.185 589 H VAL 73 HN VAL 73 -5.278 -0.533 -3.905 590 HA VAL 73 HA VAL 73 -7.787 0.581 -2.681 591 HB VAL 73 HB VAL 73 -7.974 -1.712 -3.763 592 HG11 VAL 73 HG11 VAL 73 -6.407 -2.657 -1.357 593 HG12 VAL 73 HG12 VAL 73 -5.633 -2.374 -2.917 594 HG13 VAL 73 HG13 VAL 73 -6.906 -3.585 -2.772 595 HG21 VAL 73 HG21 VAL 73 -8.453 -1.395 -0.785 596 HG22 VAL 73 HG22 VAL 73 -9.148 -2.685 -1.766 597 HG23 VAL 73 HG23 VAL 73 -9.579 -1.005 -2.087 598 H VAL 74 HN VAL 74 -7.805 0.823 -0.463 599 HA VAL 74 HA VAL 74 -5.135 0.793 0.852 600 HB VAL 74 HB VAL 74 -7.806 1.980 1.654 601 HG11 VAL 74 HG11 VAL 74 -5.115 1.977 3.043 602 HG12 VAL 74 HG12 VAL 74 -6.655 1.406 3.685 603 HG13 VAL 74 HG13 VAL 74 -6.396 3.127 3.419 604 HG21 VAL 74 HG21 VAL 74 -6.672 3.119 -0.210 605 HG22 VAL 74 HG22 VAL 74 -5.187 3.211 0.738 606 HG23 VAL 74 HG23 VAL 74 -6.615 4.116 1.243 607 H GLY 75 HN GLY 75 -4.622 -0.647 2.481 608 HA2 GLY 75 HA2 GLY 75 -6.764 -2.558 3.364 609 HA3 GLY 75 HA1 GLY 75 -5.054 -2.971 3.227 610 H GLU 76 HN GLU 76 -6.802 -3.109 5.616 611 HA GLU 76 HA GLU 76 -5.649 -1.002 7.379 612 HB2 GLU 76 HB2 GLU 76 -7.209 -2.262 9.073 613 HB3 GLU 76 HB1 GLU 76 -7.944 -1.246 7.832 614 HG2 GLU 76 HG2 GLU 76 -8.386 -3.169 6.428 615 HG3 GLU 76 HG1 GLU 76 -7.496 -4.227 7.519 616 H TYR 77 HN TYR 77 -3.497 -1.712 7.655 617 HA TYR 77 HA TYR 77 -3.080 -4.500 8.656 618 HB2 TYR 77 HB2 TYR 77 -1.676 -3.854 6.780 619 HB3 TYR 77 HB1 TYR 77 -1.144 -2.407 7.633 620 HD1 TYR 77 HD1 TYR 77 -1.410 -6.100 8.279 621 HD2 TYR 77 HD2 TYR 77 0.955 -2.531 8.659 622 HE1 TYR 77 HE1 TYR 77 0.408 -7.416 9.332 623 HE2 TYR 77 HE2 TYR 77 2.771 -3.848 9.712 624 HH TYR 77 HH TYR 77 2.517 -7.381 10.055 625 H ASN 78 HN ASN 78 -3.087 -4.708 10.805 626 HA ASN 78 HA ASN 78 -2.866 -4.212 13.077 627 HB2 ASN 78 HB2 ASN 78 -0.476 -4.399 12.381 628 HB3 ASN 78 HB1 ASN 78 -0.456 -2.655 12.107 629 HD21 ASN 78 HD21 ASN 78 -1.153 -5.064 14.692 630 HD22 ASN 78 HD22 ASN 78 -0.678 -4.053 15.970 631 H ASP 79 HN ASP 79 -1.277 -1.413 13.444 632 HA ASP 79 HA ASP 79 -3.801 0.110 13.820 633 HB2 ASP 79 HB2 ASP 79 -2.063 -0.141 15.653 634 HB3 ASP 79 HB1 ASP 79 -0.993 0.862 14.675 635 H ARG 80 HN ARG 80 -1.380 -0.184 11.494 636 HA ARG 80 HA ARG 80 -1.769 2.649 10.563 637 HB2 ARG 80 HB2 ARG 80 0.580 2.007 11.102 638 HB3 ARG 80 HB1 ARG 80 0.484 0.737 9.880 639 HG2 ARG 80 HG2 ARG 80 0.059 2.392 8.137 640 HG3 ARG 80 HG1 ARG 80 0.028 3.685 9.336 641 HD2 ARG 80 HD2 ARG 80 2.425 1.898 8.840 642 HD3 ARG 80 HD1 ARG 80 2.221 3.498 8.128 643 HE ARG 80 HE ARG 80 1.881 3.835 10.897 644 HH11 ARG 80 HH21 ARG 80 4.259 2.705 8.678 645 HH12 ARG 80 HH22 ARG 80 5.600 3.208 9.652 646 HH21 ARG 80 HH11 ARG 80 3.613 4.500 12.184 647 HH22 ARG 80 HH12 ARG 80 5.234 4.226 11.640 648 H PHE 81 HN PHE 81 -2.319 3.003 8.418 649 HA PHE 81 HA PHE 81 -3.696 0.782 7.074 650 HB2 PHE 81 HB2 PHE 81 -3.347 3.715 6.367 651 HB3 PHE 81 HB1 PHE 81 -4.318 2.578 5.429 652 HD1 PHE 81 HD1 PHE 81 -6.251 1.396 6.544 653 HD2 PHE 81 HD2 PHE 81 -4.190 4.691 8.374 654 HE1 PHE 81 HE1 PHE 81 -8.154 1.723 8.097 655 HE2 PHE 81 HE2 PHE 81 -6.096 5.018 9.929 656 HZ PHE 81 HZ PHE 81 -8.078 3.534 9.790 657 H GLN 82 HN GLN 82 -3.189 0.236 4.794 658 HA GLN 82 HA GLN 82 -0.449 0.983 3.896 659 HB2 GLN 82 HB2 GLN 82 -1.265 -1.603 4.995 660 HB3 GLN 82 HB1 GLN 82 -0.695 -1.797 3.340 661 HG2 GLN 82 HG2 GLN 82 1.185 -2.027 4.876 662 HG3 GLN 82 HG1 GLN 82 1.367 -0.533 3.956 663 HE21 GLN 82 HE21 GLN 82 2.122 1.080 5.333 664 HE22 GLN 82 HE22 GLN 82 1.579 1.333 6.921 665 H VAL 83 HN VAL 83 -0.125 0.551 1.601 666 HA VAL 83 HA VAL 83 -2.728 0.543 0.100 667 HB VAL 83 HB VAL 83 -0.916 1.288 -1.782 668 HG11 VAL 83 HG11 VAL 83 -2.163 3.052 0.348 669 HG12 VAL 83 HG12 VAL 83 -2.824 2.663 -1.240 670 HG13 VAL 83 HG13 VAL 83 -1.387 3.676 -1.108 671 HG21 VAL 83 HG21 VAL 83 0.854 1.023 0.121 672 HG22 VAL 83 HG22 VAL 83 0.242 2.570 0.692 673 HG23 VAL 83 HG23 VAL 83 0.942 2.435 -0.923 674 H GLN 84 HN GLN 84 -3.244 -1.269 -0.945 675 HA GLN 84 HA GLN 84 -1.149 -3.350 -1.435 676 HB2 GLN 84 HB2 GLN 84 -4.179 -3.569 -1.531 677 HB3 GLN 84 HB1 GLN 84 -3.030 -4.904 -1.607 678 HG2 GLN 84 HG2 GLN 84 -3.295 -2.994 0.730 679 HG3 GLN 84 HG1 GLN 84 -4.007 -4.608 0.668 680 HE21 GLN 84 HE21 GLN 84 -1.353 -2.996 1.837 681 HE22 GLN 84 HE22 GLN 84 -0.234 -4.272 1.855 682 H VAL 85 HN VAL 85 -0.490 -3.668 -3.516 683 HA VAL 85 HA VAL 85 -2.093 -2.438 -5.729 684 HB VAL 85 HB VAL 85 0.780 -3.401 -5.708 685 HG11 VAL 85 HG11 VAL 85 0.951 -2.117 -7.798 686 HG12 VAL 85 HG12 VAL 85 -0.755 -1.691 -7.680 687 HG13 VAL 85 HG13 VAL 85 -0.283 -3.370 -7.937 688 HG21 VAL 85 HG21 VAL 85 -0.362 -0.601 -5.455 689 HG22 VAL 85 HG22 VAL 85 1.350 -0.996 -5.607 690 HG23 VAL 85 HG23 VAL 85 0.454 -1.502 -4.176 691 H ASN 86 HN ASN 86 -3.087 -3.787 -7.164 692 HA ASN 86 HA ASN 86 -2.268 -6.680 -7.224 693 HB2 ASN 86 HB2 ASN 86 -5.066 -5.519 -7.311 694 HB3 ASN 86 HB1 ASN 86 -4.667 -7.222 -7.536 695 HD21 ASN 86 HD21 ASN 86 -5.933 -5.323 -5.238 696 HD22 ASN 86 HD22 ASN 86 -5.276 -6.024 -3.840 697 H LYS 87 HN LYS 87 -3.920 -7.529 -9.217 698 HA LYS 87 HA LYS 87 -2.589 -6.653 -11.594 699 HB2 LYS 87 HB2 LYS 87 -3.643 -8.895 -11.272 700 HB3 LYS 87 HB1 LYS 87 -5.227 -8.126 -11.348 701 HG2 LYS 87 HG2 LYS 87 -4.765 -7.326 -13.612 702 HG3 LYS 87 HG1 LYS 87 -3.141 -8.015 -13.544 703 HD2 LYS 87 HD2 LYS 87 -4.119 -10.268 -13.238 704 HD3 LYS 87 HD1 LYS 87 -5.737 -9.571 -13.349 705 HE2 LYS 87 HE2 LYS 87 -3.636 -9.349 -15.521 706 HE3 LYS 87 HE1 LYS 87 -4.931 -10.547 -15.512 707 HZ1 LYS 87 HZ1 LYS 87 -6.526 -8.687 -15.387 708 HZ2 LYS 87 HZ2 LYS 87 -5.606 -8.677 -16.816 709 HZ3 LYS 87 HZ3 LYS 87 -5.240 -7.595 -15.559 710 H ASN 88 HN ASN 88 -5.818 -5.909 -10.266 711 HA ASN 88 HA ASN 88 -6.697 -4.347 -12.499 712 HB2 ASN 88 HB2 ASN 88 -8.278 -3.331 -10.765 713 HB3 ASN 88 HB1 ASN 88 -8.358 -5.084 -10.956 714 HD21 ASN 88 HD21 ASN 88 -7.331 -6.419 -9.281 715 HD22 ASN 88 HD22 ASN 88 -6.986 -5.773 -7.752 716 H SER 89 HN SER 89 -4.311 -3.724 -10.173 717 HA SER 89 HA SER 89 -4.626 -0.788 -10.238 718 HB2 SER 89 HB2 SER 89 -3.799 -1.855 -8.183 719 HB3 SER 89 HB1 SER 89 -2.437 -2.534 -9.070 720 HG SER 89 HG SER 89 -2.597 0.089 -9.555 721 H SER 90 HN SER 90 -2.769 0.575 -11.001 722 HA SER 90 HA SER 90 -1.131 -0.700 -13.156 723 HB2 SER 90 HB2 SER 90 -2.849 1.785 -13.383 724 HB3 SER 90 HB1 SER 90 -1.573 1.388 -14.528 725 HG SER 90 HG SER 90 -2.681 -0.643 -14.827 726 H ILE 91 HN ILE 91 0.835 0.620 -13.666 727 HA ILE 91 HA ILE 91 1.485 2.696 -11.639 728 HB ILE 91 HB ILE 91 3.202 0.283 -12.294 729 HG12 ILE 91 HG12 ILE 91 2.070 1.211 -9.636 730 HG13 ILE 91 HG11 ILE 91 1.326 -0.037 -10.634 731 HG21 ILE 91 HG21 ILE 91 3.764 2.808 -10.722 732 HG22 ILE 91 HG22 ILE 91 4.658 2.181 -12.105 733 HG23 ILE 91 HG23 ILE 91 4.733 1.345 -10.557 734 HD11 ILE 91 HD11 ILE 91 3.460 -1.326 -10.548 735 HD12 ILE 91 HD12 ILE 91 2.729 -1.101 -8.957 736 HD13 ILE 91 HD13 ILE 91 4.103 -0.111 -9.444 737 H GLU 92 HN GLU 92 2.453 4.432 -12.637 738 HA GLU 92 HA GLU 92 3.731 3.968 -15.325 739 HB2 GLU 92 HB2 GLU 92 2.010 6.313 -14.457 740 HB3 GLU 92 HB1 GLU 92 2.891 6.219 -15.979 741 HG2 GLU 92 HG2 GLU 92 0.777 4.233 -15.093 742 HG3 GLU 92 HG1 GLU 92 0.494 5.566 -16.212 743 H LYS 93 HN LYS 93 5.790 4.682 -15.427 744 HA LYS 93 HA LYS 93 6.999 5.952 -13.102 745 HB2 LYS 93 HB2 LYS 93 8.166 4.269 -14.546 746 HB3 LYS 93 HB1 LYS 93 8.187 5.458 -15.848 747 HG2 LYS 93 HG2 LYS 93 9.491 6.997 -14.455 748 HG3 LYS 93 HG1 LYS 93 9.431 5.854 -13.112 749 HD2 LYS 93 HD2 LYS 93 10.618 4.178 -14.487 750 HD3 LYS 93 HD1 LYS 93 10.697 5.333 -15.816 751 HE2 LYS 93 HE2 LYS 93 11.874 6.908 -14.161 752 HE3 LYS 93 HE1 LYS 93 12.059 5.492 -13.127 753 HZ1 LYS 93 HZ1 LYS 93 13.467 6.195 -15.518 754 HZ2 LYS 93 HZ2 LYS 93 12.842 4.617 -15.578 755 HZ3 LYS 93 HZ3 LYS 93 13.878 5.076 -14.311 756 H LEU 94 HN LEU 94 7.589 8.104 -12.884 757 HA LEU 94 HA LEU 94 6.694 9.961 -15.064 758 HB2 LEU 94 HB2 LEU 94 6.804 10.162 -12.072 759 HB3 LEU 94 HB1 LEU 94 6.938 11.642 -13.017 760 HG LEU 94 HG LEU 94 4.579 11.029 -12.318 761 HD11 LEU 94 HD11 LEU 94 4.591 10.920 -15.314 762 HD12 LEU 94 HD12 LEU 94 5.367 12.307 -14.552 763 HD13 LEU 94 HD13 LEU 94 3.674 11.955 -14.221 764 HD21 LEU 94 HD21 LEU 94 5.061 8.525 -12.769 765 HD22 LEU 94 HD22 LEU 94 4.738 8.907 -14.461 766 HD23 LEU 94 HD23 LEU 94 3.488 9.155 -13.251 767 H SER 95 HN SER 95 8.085 11.350 -15.966 768 HA SER 95 HA SER 95 10.949 10.935 -15.487 769 HB2 SER 95 HB2 SER 95 10.379 11.186 -17.781 770 HB3 SER 95 HB1 SER 95 9.339 12.569 -17.455 771 HG SER 95 HG SER 95 11.197 13.746 -16.897 772 H GLU 96 HN GLU 96 8.687 12.737 -13.893 773 HA GLU 96 HA GLU 96 10.457 15.115 -13.550 774 HB2 GLU 96 HB2 GLU 96 7.549 14.576 -12.918 775 HB3 GLU 96 HB1 GLU 96 8.402 15.983 -12.280 776 HG2 GLU 96 HG2 GLU 96 7.246 16.549 -14.385 777 HG3 GLU 96 HG1 GLU 96 8.996 16.667 -14.581 778 HA PRO 97 HA PRO 97 11.574 13.204 -9.612 779 HB2 PRO 97 HB2 PRO 97 13.210 15.142 -8.629 780 HB3 PRO 97 HB1 PRO 97 13.695 14.088 -9.975 781 HG2 PRO 97 HG2 PRO 97 12.663 16.893 -10.050 782 HG3 PRO 97 HG1 PRO 97 13.985 16.155 -10.973 783 HD2 PRO 97 HD2 PRO 97 11.459 16.531 -12.000 784 HD3 PRO 97 HD1 PRO 97 12.552 15.246 -12.549 785 H ILE 98 HN ILE 98 10.880 13.349 -7.452 786 HA ILE 98 HA ILE 98 9.059 15.646 -6.795 787 HB ILE 98 HB ILE 98 9.078 12.789 -5.778 788 HG12 ILE 98 HG12 ILE 98 7.004 14.266 -7.420 789 HG13 ILE 98 HG11 ILE 98 8.250 13.240 -8.131 790 HG21 ILE 98 HG21 ILE 98 7.340 15.178 -5.091 791 HG22 ILE 98 HG22 ILE 98 8.336 14.227 -3.987 792 HG23 ILE 98 HG23 ILE 98 6.894 13.515 -4.709 793 HD11 ILE 98 HD11 ILE 98 7.432 11.340 -6.740 794 HD12 ILE 98 HD12 ILE 98 6.205 11.945 -7.852 795 HD13 ILE 98 HD13 ILE 98 6.133 12.372 -6.142 796 H GLU 99 HN GLU 99 9.511 16.840 -4.979 797 HA GLU 99 HA GLU 99 12.070 16.291 -3.613 798 HB2 GLU 99 HB2 GLU 99 11.498 18.586 -4.351 799 HB3 GLU 99 HB1 GLU 99 10.100 18.572 -3.277 800 HG2 GLU 99 HG2 GLU 99 11.571 18.286 -1.330 801 HG3 GLU 99 HG1 GLU 99 12.982 18.234 -2.388 802 H VAL 100 HN VAL 100 12.136 15.157 -1.755 803 HA VAL 100 HA VAL 100 9.632 14.811 -0.157 804 HB VAL 100 HB VAL 100 12.253 13.341 0.203 805 HG11 VAL 100 HG11 VAL 100 10.700 11.585 1.078 806 HG12 VAL 100 HG12 VAL 100 9.358 12.707 0.854 807 HG13 VAL 100 HG13 VAL 100 10.637 13.082 2.010 808 HG21 VAL 100 HG21 VAL 100 11.137 11.558 -1.237 809 HG22 VAL 100 HG22 VAL 100 11.696 12.989 -2.105 810 HG23 VAL 100 HG23 VAL 100 9.983 12.798 -1.728 811 H GLY 101 HN GLY 101 12.351 16.726 -0.277 812 HA2 GLY 101 HA2 GLY 101 12.745 18.478 1.357 813 HA3 GLY 101 HA1 GLY 101 12.108 17.419 2.617 814 H LEU 102 HN LEU 102 14.906 18.745 1.593 815 HA LEU 102 HA LEU 102 16.609 16.364 2.110 816 HB2 LEU 102 HB2 LEU 102 17.395 19.167 1.253 817 HB3 LEU 102 HB1 LEU 102 18.440 17.745 1.284 818 HG LEU 102 HG LEU 102 15.944 18.051 -0.411 819 HD11 LEU 102 HD11 LEU 102 17.600 18.047 -2.299 820 HD12 LEU 102 HD12 LEU 102 18.892 18.166 -1.105 821 HD13 LEU 102 HD13 LEU 102 17.714 19.469 -1.262 822 HD21 LEU 102 HD21 LEU 102 16.125 15.741 -0.062 823 HD22 LEU 102 HD22 LEU 102 17.884 15.788 0.050 824 HD23 LEU 102 HD23 LEU 102 17.094 15.952 -1.518 825 H GLU 103 HN GLU 103 16.958 16.024 4.194 826 HA GLU 103 HA GLU 103 16.822 18.113 6.215 827 HB2 GLU 103 HB2 GLU 103 17.726 15.219 6.349 828 HB3 GLU 103 HB1 GLU 103 17.506 16.265 7.754 829 HG2 GLU 103 HG2 GLU 103 15.326 15.650 5.738 830 HG3 GLU 103 HG1 GLU 103 15.517 14.808 7.275 831 H HIS 104 HN HIS 104 19.181 17.261 4.024 832 HA HIS 104 HA HIS 104 21.247 18.701 5.585 833 HB2 HIS 104 HB2 HIS 104 22.947 16.960 5.119 834 HB3 HIS 104 HB1 HIS 104 21.650 16.329 6.133 835 HD1 HIS 104 HD1 HIS 104 19.942 14.693 5.018 836 HD2 HIS 104 HD2 HIS 104 23.085 15.826 2.526 837 HE1 HIS 104 HE1 HIS 104 19.886 13.119 3.035 838 H HIS 105 HN HIS 105 23.126 19.247 4.126 839 HA HIS 105 HA HIS 105 22.270 19.420 1.247 840 HB2 HIS 105 HB2 HIS 105 23.366 21.624 1.179 841 HB3 HIS 105 HB1 HIS 105 22.077 21.602 2.381 842 HD1 HIS 105 HD1 HIS 105 22.922 21.110 4.928 843 HD2 HIS 105 HD2 HIS 105 25.838 22.336 2.213 844 HE1 HIS 105 HE1 HIS 105 24.903 21.883 6.305 845 H HIS 106 HN HIS 106 24.150 19.692 -0.246 846 HA HIS 106 HA HIS 106 26.199 17.740 0.392 847 HB2 HIS 106 HB2 HIS 106 25.825 19.616 -1.956 848 HB3 HIS 106 HB1 HIS 106 27.134 18.438 -1.852 849 HD1 HIS 106 HD1 HIS 106 23.389 18.680 -2.182 850 HD2 HIS 106 HD2 HIS 106 26.343 15.740 -2.209 851 HE1 HIS 106 HE1 HIS 106 22.269 16.546 -2.963 852 H HIS 107 HN HIS 107 28.496 18.173 0.478 853 HA HIS 107 HA HIS 107 29.166 20.448 2.109 854 HB2 HIS 107 HB2 HIS 107 30.965 18.529 0.597 855 HB3 HIS 107 HB1 HIS 107 31.488 19.629 1.872 856 HD1 HIS 107 HD1 HIS 107 30.533 19.165 4.304 857 HD2 HIS 107 HD2 HIS 107 29.727 16.179 1.510 858 HE1 HIS 107 HE1 HIS 107 29.789 17.135 5.621 859 H HIS 108 HN HIS 108 29.734 22.476 1.464 860 HA HIS 108 HA HIS 108 30.101 22.990 -1.441 861 HB2 HIS 108 HB2 HIS 108 28.524 24.403 -0.118 862 HB3 HIS 108 HB1 HIS 108 29.885 24.955 0.860 863 HD1 HIS 108 HD1 HIS 108 31.685 26.449 -0.324 864 HD2 HIS 108 HD2 HIS 108 28.388 25.543 -2.708 865 HE1 HIS 108 HE1 HIS 108 31.796 28.003 -2.320 866 H HIS 109 HN HIS 109 32.104 23.262 -2.273 867 HA HIS 109 HA HIS 109 34.435 23.268 -0.498 868 HB2 HIS 109 HB2 HIS 109 34.209 23.471 -3.517 869 HB3 HIS 109 HB1 HIS 109 35.718 23.266 -2.627 870 HD1 HIS 109 HD1 HIS 109 35.871 21.014 -1.132 871 HD2 HIS 109 HD2 HIS 109 32.844 21.096 -3.997 872 HE1 HIS 109 HE1 HIS 109 35.114 18.617 -1.443 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -9.470 8.576 -15.831 2 H2 MET 1 HT2 MET 1 -8.076 8.186 -16.721 3 H3 MET 1 HT3 MET 1 -9.580 8.306 -17.502 4 HA MET 1 HA MET 1 -7.676 10.302 -17.104 5 HB2 MET 1 HB2 MET 1 -9.145 9.926 -19.091 6 HB3 MET 1 HB1 MET 1 -10.521 10.490 -18.143 7 HG2 MET 1 HG2 MET 1 -9.435 12.666 -17.819 8 HG3 MET 1 HG1 MET 1 -8.013 12.102 -18.697 9 HE1 MET 1 HE1 MET 1 -7.744 12.849 -21.231 10 HE2 MET 1 HE2 MET 1 -8.077 14.084 -20.020 11 HE3 MET 1 HE3 MET 1 -8.876 14.161 -21.588 12 H GLU 2 HN GLU 2 -7.575 12.018 -15.761 13 HA GLU 2 HA GLU 2 -8.032 13.394 -13.934 14 HB2 GLU 2 HB2 GLU 2 -9.938 13.987 -15.551 15 HB3 GLU 2 HB1 GLU 2 -10.959 12.963 -14.540 16 HG2 GLU 2 HG2 GLU 2 -10.422 14.317 -12.572 17 HG3 GLU 2 HG1 GLU 2 -9.319 15.308 -13.528 18 HA PRO 3 HA PRO 3 -9.300 9.590 -11.473 19 HB2 PRO 3 HB2 PRO 3 -6.860 9.041 -10.351 20 HB3 PRO 3 HB1 PRO 3 -7.373 8.386 -11.920 21 HG2 PRO 3 HG2 PRO 3 -5.587 10.709 -11.336 22 HG3 PRO 3 HG1 PRO 3 -5.433 9.454 -12.579 23 HD2 PRO 3 HD2 PRO 3 -6.397 11.967 -13.111 24 HD3 PRO 3 HD1 PRO 3 -6.883 10.530 -14.038 25 H GLN 4 HN GLN 4 -9.393 9.448 -9.130 26 HA GLN 4 HA GLN 4 -9.457 12.092 -7.872 27 HB2 GLN 4 HB2 GLN 4 -10.227 10.629 -5.857 28 HB3 GLN 4 HB1 GLN 4 -11.288 10.756 -7.260 29 HG2 GLN 4 HG2 GLN 4 -10.538 8.626 -8.116 30 HG3 GLN 4 HG1 GLN 4 -9.282 8.517 -6.885 31 HE21 GLN 4 HE21 GLN 4 -11.632 9.847 -5.112 32 HE22 GLN 4 HE22 GLN 4 -12.473 8.468 -4.597 33 H LEU 5 HN LEU 5 -7.694 12.940 -6.927 34 HA LEU 5 HA LEU 5 -5.457 11.186 -6.106 35 HB2 LEU 5 HB2 LEU 5 -5.660 14.209 -5.958 36 HB3 LEU 5 HB1 LEU 5 -4.193 13.232 -5.888 37 HG LEU 5 HG LEU 5 -6.059 13.481 -8.265 38 HD11 LEU 5 HD11 LEU 5 -4.142 14.581 -9.333 39 HD12 LEU 5 HD12 LEU 5 -3.191 14.383 -7.861 40 HD13 LEU 5 HD13 LEU 5 -4.599 15.447 -7.865 41 HD21 LEU 5 HD21 LEU 5 -4.060 12.193 -9.348 42 HD22 LEU 5 HD22 LEU 5 -5.230 11.285 -8.398 43 HD23 LEU 5 HD23 LEU 5 -3.672 11.722 -7.692 44 H THR 6 HN THR 6 -5.046 10.647 -4.045 45 HA THR 6 HA THR 6 -6.507 12.109 -1.858 46 HB THR 6 HB THR 6 -5.852 9.155 -2.013 47 HG1 THR 6 HG1 THR 6 -8.438 10.110 -1.784 48 HG21 THR 6 HG21 THR 6 -7.158 10.901 0.083 49 HG22 THR 6 HG22 THR 6 -5.760 9.843 0.273 50 HG23 THR 6 HG23 THR 6 -7.366 9.151 0.043 51 H LYS 7 HN LYS 7 -5.323 12.600 -0.028 52 HA LYS 7 HA LYS 7 -2.383 12.359 -0.312 53 HB2 LYS 7 HB2 LYS 7 -4.144 13.949 1.576 54 HB3 LYS 7 HB1 LYS 7 -2.383 13.988 1.580 55 HG2 LYS 7 HG2 LYS 7 -2.374 14.788 -0.740 56 HG3 LYS 7 HG1 LYS 7 -4.135 14.712 -0.784 57 HD2 LYS 7 HD2 LYS 7 -4.226 16.362 1.080 58 HD3 LYS 7 HD1 LYS 7 -2.466 16.481 1.030 59 HE2 LYS 7 HE2 LYS 7 -4.277 17.060 -1.332 60 HE3 LYS 7 HE1 LYS 7 -3.618 18.298 -0.262 61 HZ1 LYS 7 HZ1 LYS 7 -1.393 17.060 -0.846 62 HZ2 LYS 7 HZ2 LYS 7 -2.023 18.270 -1.859 63 HZ3 LYS 7 HZ3 LYS 7 -2.255 16.631 -2.242 64 H ILE 8 HN ILE 8 -1.097 11.394 1.258 65 HA ILE 8 HA ILE 8 -1.990 9.087 2.567 66 HB ILE 8 HB ILE 8 0.279 10.861 3.515 67 HG12 ILE 8 HG12 ILE 8 0.518 10.536 1.114 68 HG13 ILE 8 HG11 ILE 8 1.683 9.502 1.939 69 HG21 ILE 8 HG21 ILE 8 -0.154 7.865 3.639 70 HG22 ILE 8 HG22 ILE 8 -0.277 8.976 5.002 71 HG23 ILE 8 HG23 ILE 8 1.280 8.715 4.215 72 HD11 ILE 8 HD11 ILE 8 -0.871 8.731 0.554 73 HD12 ILE 8 HD12 ILE 8 -0.198 7.681 1.793 74 HD13 ILE 8 HD13 ILE 8 0.737 8.052 0.350 75 H VAL 9 HN VAL 9 -1.562 12.324 3.922 76 HA VAL 9 HA VAL 9 -2.437 11.659 6.579 77 HB VAL 9 HB VAL 9 -1.160 13.719 5.978 78 HG11 VAL 9 HG11 VAL 9 -2.245 15.567 4.899 79 HG12 VAL 9 HG12 VAL 9 -3.813 14.761 4.958 80 HG13 VAL 9 HG13 VAL 9 -2.547 14.149 3.897 81 HG21 VAL 9 HG21 VAL 9 -2.640 13.457 8.069 82 HG22 VAL 9 HG22 VAL 9 -3.810 14.472 7.225 83 HG23 VAL 9 HG23 VAL 9 -2.207 15.102 7.603 84 H ASP 10 HN ASP 10 -4.140 11.891 3.661 85 HA ASP 10 HA ASP 10 -6.731 12.523 5.000 86 HB2 ASP 10 HB2 ASP 10 -5.912 12.309 2.095 87 HB3 ASP 10 HB1 ASP 10 -7.579 12.533 2.618 88 H ILE 11 HN ILE 11 -4.874 9.868 4.534 89 HA ILE 11 HA ILE 11 -6.990 8.039 3.604 90 HB ILE 11 HB ILE 11 -4.149 7.586 4.548 91 HG12 ILE 11 HG12 ILE 11 -5.421 7.319 1.804 92 HG13 ILE 11 HG11 ILE 11 -4.465 8.699 2.331 93 HG21 ILE 11 HG21 ILE 11 -4.549 5.254 3.580 94 HG22 ILE 11 HG22 ILE 11 -6.265 5.643 3.599 95 HG23 ILE 11 HG23 ILE 11 -5.355 5.594 5.106 96 HD11 ILE 11 HD11 ILE 11 -3.573 5.879 1.809 97 HD12 ILE 11 HD12 ILE 11 -2.645 6.896 2.907 98 HD13 ILE 11 HD13 ILE 11 -2.867 7.383 1.228 99 H VAL 12 HN VAL 12 -8.479 7.290 5.011 100 HA VAL 12 HA VAL 12 -7.651 6.396 7.693 101 HB VAL 12 HB VAL 12 -9.491 7.695 8.808 102 HG11 VAL 12 HG11 VAL 12 -8.186 9.685 9.036 103 HG12 VAL 12 HG12 VAL 12 -7.507 9.510 7.420 104 HG13 VAL 12 HG13 VAL 12 -7.036 8.393 8.700 105 HG21 VAL 12 HG21 VAL 12 -10.704 8.143 6.593 106 HG22 VAL 12 HG22 VAL 12 -9.484 9.379 6.287 107 HG23 VAL 12 HG23 VAL 12 -10.554 9.522 7.681 108 H GLU 13 HN GLU 13 -9.132 5.713 4.946 109 HA GLU 13 HA GLU 13 -11.182 3.963 6.278 110 HB2 GLU 13 HB2 GLU 13 -12.236 5.834 4.998 111 HB3 GLU 13 HB1 GLU 13 -11.422 5.253 3.544 112 HG2 GLU 13 HG2 GLU 13 -12.559 3.096 3.727 113 HG3 GLU 13 HG1 GLU 13 -13.321 3.602 5.236 114 H ASN 14 HN ASN 14 -10.708 1.869 5.993 115 HA ASN 14 HA ASN 14 -8.683 1.068 4.019 116 HB2 ASN 14 HB2 ASN 14 -8.466 0.016 6.146 117 HB3 ASN 14 HB1 ASN 14 -10.178 -0.403 6.198 118 HD21 ASN 14 HD21 ASN 14 -10.753 -2.438 5.368 119 HD22 ASN 14 HD22 ASN 14 -9.716 -3.437 4.477 120 H GLY 15 HN GLY 15 -9.049 -0.507 2.373 121 HA2 GLY 15 HA2 GLY 15 -10.281 -1.685 0.773 122 HA3 GLY 15 HA1 GLY 15 -11.706 -1.520 1.802 123 H GLN 16 HN GLN 16 -9.940 1.350 1.050 124 HA GLN 16 HA GLN 16 -12.234 2.283 -0.608 125 HB2 GLN 16 HB2 GLN 16 -11.588 3.662 1.328 126 HB3 GLN 16 HB1 GLN 16 -9.964 3.842 0.660 127 HG2 GLN 16 HG2 GLN 16 -10.803 5.021 -1.268 128 HG3 GLN 16 HG1 GLN 16 -12.472 4.657 -0.830 129 HE21 GLN 16 HE21 GLN 16 -10.205 7.116 -0.693 130 HE22 GLN 16 HE22 GLN 16 -10.827 7.986 0.626 131 H TRP 17 HN TRP 17 -11.959 3.102 -2.673 132 HA TRP 17 HA TRP 17 -9.425 2.306 -4.040 133 HB2 TRP 17 HB2 TRP 17 -12.212 2.941 -5.036 134 HB3 TRP 17 HB1 TRP 17 -10.837 2.716 -6.117 135 HD1 TRP 17 HD1 TRP 17 -13.329 0.834 -4.043 136 HE1 TRP 17 HE1 TRP 17 -12.906 -1.701 -4.261 137 HE3 TRP 17 HE3 TRP 17 -8.823 0.899 -6.439 138 HZ2 TRP 17 HZ2 TRP 17 -10.916 -3.467 -5.316 139 HZ3 TRP 17 HZ3 TRP 17 -7.686 -1.219 -7.039 140 HH2 TRP 17 HH2 TRP 17 -8.725 -3.400 -6.481 141 H ALA 18 HN ALA 18 -8.034 3.832 -4.738 142 HA ALA 18 HA ALA 18 -8.934 6.506 -5.507 143 HB1 ALA 18 HB1 ALA 18 -8.758 6.594 -2.975 144 HB2 ALA 18 HB2 ALA 18 -7.766 7.771 -3.836 145 HB3 ALA 18 HB3 ALA 18 -7.027 6.317 -3.166 146 H ASN 19 HN ASN 19 -6.706 7.903 -5.700 147 HA ASN 19 HA ASN 19 -4.654 6.122 -6.989 148 HB2 ASN 19 HB2 ASN 19 -5.934 7.153 -8.760 149 HB3 ASN 19 HB1 ASN 19 -5.785 8.739 -8.004 150 HD21 ASN 19 HD21 ASN 19 -4.178 9.979 -8.944 151 HD22 ASN 19 HD22 ASN 19 -2.756 9.384 -9.651 152 H LEU 20 HN LEU 20 -2.515 6.678 -6.581 153 HA LEU 20 HA LEU 20 -2.009 9.217 -5.083 154 HB2 LEU 20 HB2 LEU 20 -1.004 6.469 -4.279 155 HB3 LEU 20 HB1 LEU 20 -0.590 7.997 -3.502 156 HG LEU 20 HG LEU 20 -3.314 8.190 -3.402 157 HD11 LEU 20 HD11 LEU 20 -2.809 5.245 -2.954 158 HD12 LEU 20 HD12 LEU 20 -3.400 5.862 -4.491 159 HD13 LEU 20 HD13 LEU 20 -4.355 6.085 -3.029 160 HD21 LEU 20 HD21 LEU 20 -3.104 7.153 -1.080 161 HD22 LEU 20 HD22 LEU 20 -2.002 8.479 -1.446 162 HD23 LEU 20 HD23 LEU 20 -1.421 6.814 -1.488 163 H LYS 21 HN LYS 21 0.155 9.944 -5.188 164 HA LYS 21 HA LYS 21 1.922 8.587 -7.175 165 HB2 LYS 21 HB2 LYS 21 0.543 10.555 -8.147 166 HB3 LYS 21 HB1 LYS 21 1.557 11.584 -7.142 167 HG2 LYS 21 HG2 LYS 21 3.570 10.759 -8.227 168 HG3 LYS 21 HG1 LYS 21 2.640 9.578 -9.144 169 HD2 LYS 21 HD2 LYS 21 3.036 11.405 -10.632 170 HD3 LYS 21 HD1 LYS 21 1.349 11.525 -10.143 171 HE2 LYS 21 HE2 LYS 21 1.800 13.316 -8.646 172 HE3 LYS 21 HE1 LYS 21 3.537 13.022 -8.686 173 HZ1 LYS 21 HZ1 LYS 21 1.922 14.576 -10.442 174 HZ2 LYS 21 HZ2 LYS 21 2.841 13.428 -11.295 175 HZ3 LYS 21 HZ3 LYS 21 3.608 14.546 -10.271 176 H ALA 22 HN ALA 22 4.024 8.588 -6.548 177 HA ALA 22 HA ALA 22 5.214 10.578 -4.823 178 HB1 ALA 22 HB1 ALA 22 3.793 9.489 -3.132 179 HB2 ALA 22 HB2 ALA 22 5.498 9.214 -2.788 180 HB3 ALA 22 HB3 ALA 22 4.528 7.934 -3.512 181 H LYS 23 HN LYS 23 7.193 9.382 -3.680 182 HA LYS 23 HA LYS 23 8.618 7.832 -5.853 183 HB2 LYS 23 HB2 LYS 23 10.698 8.877 -5.126 184 HB3 LYS 23 HB1 LYS 23 9.511 10.105 -5.560 185 HG2 LYS 23 HG2 LYS 23 8.924 10.429 -3.208 186 HG3 LYS 23 HG1 LYS 23 10.048 9.165 -2.725 187 HD2 LYS 23 HD2 LYS 23 11.042 11.498 -4.360 188 HD3 LYS 23 HD1 LYS 23 10.827 11.671 -2.619 189 HE2 LYS 23 HE2 LYS 23 12.265 9.620 -2.317 190 HE3 LYS 23 HE1 LYS 23 12.583 9.654 -4.049 191 HZ1 LYS 23 HZ1 LYS 23 13.761 11.182 -1.996 192 HZ2 LYS 23 HZ2 LYS 23 13.019 12.215 -3.123 193 HZ3 LYS 23 HZ3 LYS 23 14.184 11.090 -3.636 194 H VAL 24 HN VAL 24 10.171 6.250 -5.194 195 HA VAL 24 HA VAL 24 9.354 4.912 -2.666 196 HB VAL 24 HB VAL 24 11.126 4.039 -4.962 197 HG11 VAL 24 HG11 VAL 24 10.864 1.768 -3.844 198 HG12 VAL 24 HG12 VAL 24 10.267 2.628 -2.425 199 HG13 VAL 24 HG13 VAL 24 11.913 2.903 -2.995 200 HG21 VAL 24 HG21 VAL 24 9.150 2.390 -5.186 201 HG22 VAL 24 HG22 VAL 24 8.878 4.051 -5.704 202 HG23 VAL 24 HG23 VAL 24 8.266 3.499 -4.145 203 H ILE 25 HN ILE 25 10.372 5.714 -0.933 204 HA ILE 25 HA ILE 25 13.109 6.729 -0.994 205 HB ILE 25 HB ILE 25 11.251 6.084 1.316 206 HG12 ILE 25 HG12 ILE 25 12.139 8.787 0.279 207 HG13 ILE 25 HG11 ILE 25 10.683 7.984 -0.307 208 HG21 ILE 25 HG21 ILE 25 12.911 7.593 2.563 209 HG22 ILE 25 HG22 ILE 25 14.012 7.315 1.213 210 HG23 ILE 25 HG23 ILE 25 13.459 5.958 2.195 211 HD11 ILE 25 HD11 ILE 25 11.167 8.384 2.649 212 HD12 ILE 25 HD12 ILE 25 9.643 8.067 1.821 213 HD13 ILE 25 HD13 ILE 25 10.417 9.643 1.668 214 H GLN 26 HN GLN 26 11.604 3.629 -0.407 215 HA GLN 26 HA GLN 26 14.216 2.356 -0.323 216 HB2 GLN 26 HB2 GLN 26 13.776 3.118 2.072 217 HB3 GLN 26 HB1 GLN 26 12.429 1.980 2.090 218 HG2 GLN 26 HG2 GLN 26 14.332 0.852 3.020 219 HG3 GLN 26 HG1 GLN 26 14.064 0.170 1.422 220 HE21 GLN 26 HE21 GLN 26 15.754 3.150 2.579 221 HE22 GLN 26 HE22 GLN 26 17.191 2.837 1.731 222 H LEU 27 HN LEU 27 14.048 0.087 -0.652 223 HA LEU 27 HA LEU 27 11.320 -1.046 -1.029 224 HB2 LEU 27 HB2 LEU 27 11.770 -1.786 -3.256 225 HB3 LEU 27 HB1 LEU 27 12.232 -0.087 -3.217 226 HG LEU 27 HG LEU 27 14.129 -2.453 -2.974 227 HD11 LEU 27 HD11 LEU 27 13.864 -0.363 -5.126 228 HD12 LEU 27 HD12 LEU 27 13.242 -2.011 -5.240 229 HD13 LEU 27 HD13 LEU 27 14.978 -1.729 -5.101 230 HD21 LEU 27 HD21 LEU 27 14.474 0.528 -2.625 231 HD22 LEU 27 HD22 LEU 27 15.809 -0.451 -3.226 232 HD23 LEU 27 HD23 LEU 27 15.124 -0.786 -1.646 233 H TRP 28 HN TRP 28 11.407 -3.433 -1.320 234 HA TRP 28 HA TRP 28 13.913 -4.727 -0.410 235 HB2 TRP 28 HB2 TRP 28 12.545 -4.157 1.626 236 HB3 TRP 28 HB1 TRP 28 11.279 -5.196 0.984 237 HD1 TRP 28 HD1 TRP 28 11.455 -7.696 1.456 238 HE1 TRP 28 HE1 TRP 28 13.256 -9.238 2.468 239 HE3 TRP 28 HE3 TRP 28 15.339 -4.398 1.822 240 HZ2 TRP 28 HZ2 TRP 28 15.981 -9.093 3.320 241 HZ3 TRP 28 HZ3 TRP 28 17.524 -5.127 2.738 242 HH2 TRP 28 HH2 TRP 28 17.849 -7.469 3.486 243 H GLU 29 HN GLU 29 14.195 -6.134 -1.995 244 HA GLU 29 HA GLU 29 12.029 -7.290 -3.564 245 HB2 GLU 29 HB2 GLU 29 13.833 -8.674 -4.596 246 HB3 GLU 29 HB1 GLU 29 14.193 -6.948 -4.612 247 HG2 GLU 29 HG2 GLU 29 15.481 -7.324 -2.438 248 HG3 GLU 29 HG1 GLU 29 15.316 -9.051 -2.746 249 H ASN 30 HN ASN 30 10.809 -9.027 -3.034 250 HA ASN 30 HA ASN 30 11.961 -11.035 -1.108 251 HB2 ASN 30 HB2 ASN 30 9.671 -11.302 -0.197 252 HB3 ASN 30 HB1 ASN 30 10.326 -9.692 0.090 253 HD21 ASN 30 HD21 ASN 30 8.524 -11.329 -2.587 254 HD22 ASN 30 HD22 ASN 30 7.430 -10.054 -2.817 255 H THR 31 HN THR 31 11.583 -13.172 -1.648 256 HA THR 31 HA THR 31 10.091 -13.666 -4.215 257 HB THR 31 HB THR 31 12.345 -14.175 -4.667 258 HG1 THR 31 HG1 THR 31 11.440 -16.654 -3.685 259 HG21 THR 31 HG21 THR 31 13.252 -13.980 -2.436 260 HG22 THR 31 HG22 THR 31 13.725 -15.548 -3.091 261 HG23 THR 31 HG23 THR 31 12.409 -15.440 -1.921 262 H HIS 32 HN HIS 32 9.038 -13.636 -1.451 263 HA HIS 32 HA HIS 32 8.643 -16.326 -0.522 264 HB2 HIS 32 HB2 HIS 32 7.052 -13.777 -0.119 265 HB3 HIS 32 HB1 HIS 32 6.692 -15.287 0.720 266 HD1 HIS 32 HD1 HIS 32 9.297 -16.338 1.629 267 HD2 HIS 32 HD2 HIS 32 8.539 -12.239 1.618 268 HE1 HIS 32 HE1 HIS 32 10.929 -15.302 3.267 269 H GLU 33 HN GLU 33 7.848 -15.154 -3.407 270 HA GLU 33 HA GLU 33 6.431 -15.902 -5.114 271 HB2 GLU 33 HB2 GLU 33 6.854 -18.150 -4.004 272 HB3 GLU 33 HB1 GLU 33 5.349 -17.914 -3.124 273 HG2 GLU 33 HG2 GLU 33 4.108 -17.710 -5.213 274 HG3 GLU 33 HG1 GLU 33 5.602 -17.893 -6.133 275 H SER 34 HN SER 34 4.671 -16.040 -1.986 276 HA SER 34 HA SER 34 2.148 -15.245 -3.045 277 HB2 SER 34 HB2 SER 34 2.460 -16.179 -0.758 278 HB3 SER 34 HB1 SER 34 3.301 -14.706 -0.288 279 HG SER 34 HG SER 34 0.825 -14.383 -1.494 280 H ILE 35 HN ILE 35 4.830 -13.349 -1.650 281 HA ILE 35 HA ILE 35 3.532 -10.861 -2.709 282 HB ILE 35 HB ILE 35 5.580 -11.225 -0.506 283 HG12 ILE 35 HG12 ILE 35 2.743 -10.162 -0.386 284 HG13 ILE 35 HG11 ILE 35 3.157 -11.841 -0.037 285 HG21 ILE 35 HG21 ILE 35 6.063 -9.160 -1.616 286 HG22 ILE 35 HG22 ILE 35 5.090 -8.730 -0.210 287 HG23 ILE 35 HG23 ILE 35 4.351 -8.784 -1.810 288 HD11 ILE 35 HD11 ILE 35 4.483 -9.514 1.368 289 HD12 ILE 35 HD12 ILE 35 4.520 -11.217 1.826 290 HD13 ILE 35 HD13 ILE 35 3.026 -10.292 1.987 291 H SER 36 HN SER 36 4.694 -9.549 -4.051 292 HA SER 36 HA SER 36 7.095 -10.753 -5.314 293 HB2 SER 36 HB2 SER 36 5.257 -9.925 -6.744 294 HB3 SER 36 HB1 SER 36 5.449 -8.316 -6.057 295 HG SER 36 HG SER 36 6.572 -8.665 -8.073 296 H GLN 37 HN GLN 37 6.098 -7.629 -3.857 297 HA GLN 37 HA GLN 37 8.849 -7.234 -2.892 298 HB2 GLN 37 HB2 GLN 37 8.979 -6.349 -5.173 299 HB3 GLN 37 HB1 GLN 37 7.563 -5.338 -4.877 300 HG2 GLN 37 HG2 GLN 37 8.728 -4.040 -3.225 301 HG3 GLN 37 HG1 GLN 37 10.091 -5.160 -3.222 302 HE21 GLN 37 HE21 GLN 37 9.876 -2.179 -4.001 303 HE22 GLN 37 HE22 GLN 37 10.582 -2.109 -5.541 304 H VAL 38 HN VAL 38 9.003 -5.493 -1.397 305 HA VAL 38 HA VAL 38 6.464 -4.198 -0.516 306 HB VAL 38 HB VAL 38 6.665 -6.280 0.815 307 HG11 VAL 38 HG11 VAL 38 9.232 -6.252 0.619 308 HG12 VAL 38 HG12 VAL 38 8.559 -6.727 2.179 309 HG13 VAL 38 HG13 VAL 38 9.198 -5.099 1.956 310 HG21 VAL 38 HG21 VAL 38 7.328 -3.800 2.439 311 HG22 VAL 38 HG22 VAL 38 6.470 -5.231 3.010 312 HG23 VAL 38 HG23 VAL 38 5.723 -4.177 1.809 313 H GLY 39 HN GLY 39 6.809 -2.154 0.354 314 HA2 GLY 39 HA2 GLY 39 9.398 -1.316 1.346 315 HA3 GLY 39 HA1 GLY 39 9.121 -0.726 -0.291 316 H LEU 40 HN LEU 40 9.091 1.424 0.490 317 HA LEU 40 HA LEU 40 6.485 2.226 1.726 318 HB2 LEU 40 HB2 LEU 40 7.987 4.101 2.866 319 HB3 LEU 40 HB1 LEU 40 7.803 2.527 3.627 320 HG LEU 40 HG LEU 40 10.030 3.065 1.646 321 HD11 LEU 40 HD11 LEU 40 10.106 3.443 4.652 322 HD12 LEU 40 HD12 LEU 40 10.210 4.732 3.453 323 HD13 LEU 40 HD13 LEU 40 11.496 3.532 3.575 324 HD21 LEU 40 HD21 LEU 40 10.368 0.853 2.000 325 HD22 LEU 40 HD22 LEU 40 9.179 0.775 3.290 326 HD23 LEU 40 HD23 LEU 40 10.838 1.232 3.647 327 H LEU 41 HN LEU 41 5.787 4.339 1.131 328 HA LEU 41 HA LEU 41 7.154 5.407 -1.314 329 HB2 LEU 41 HB2 LEU 41 4.267 5.366 -0.437 330 HB3 LEU 41 HB1 LEU 41 4.838 6.441 -1.714 331 HG LEU 41 HG LEU 41 5.511 3.497 -1.849 332 HD11 LEU 41 HD11 LEU 41 2.895 4.795 -2.649 333 HD12 LEU 41 HD12 LEU 41 3.124 3.468 -1.511 334 HD13 LEU 41 HD13 LEU 41 3.426 3.216 -3.230 335 HD21 LEU 41 HD21 LEU 41 5.414 4.003 -4.291 336 HD22 LEU 41 HD22 LEU 41 6.578 5.022 -3.459 337 HD23 LEU 41 HD23 LEU 41 5.007 5.672 -3.911 338 H GLY 42 HN GLY 42 7.916 7.420 -1.259 339 HA2 GLY 42 HA2 GLY 42 7.571 8.995 1.221 340 HA3 GLY 42 HA1 GLY 42 8.792 9.272 -0.010 341 H ASP 43 HN ASP 43 5.695 10.174 1.116 342 HA ASP 43 HA ASP 43 5.115 11.698 -1.403 343 HB2 ASP 43 HB2 ASP 43 3.335 11.242 1.017 344 HB3 ASP 43 HB1 ASP 43 2.869 11.956 -0.528 345 H GLU 44 HN GLU 44 4.359 13.927 -1.089 346 HA GLU 44 HA GLU 44 6.189 15.468 0.511 347 HB2 GLU 44 HB2 GLU 44 3.625 16.409 -0.807 348 HB3 GLU 44 HB1 GLU 44 5.028 17.391 -0.388 349 HG2 GLU 44 HG2 GLU 44 5.390 17.003 -2.673 350 HG3 GLU 44 HG1 GLU 44 6.343 15.714 -1.939 351 H THR 45 HN THR 45 3.176 13.991 1.193 352 HA THR 45 HA THR 45 2.587 15.859 3.440 353 HB THR 45 HB THR 45 0.453 14.762 3.578 354 HG1 THR 45 HG1 THR 45 0.863 12.657 3.320 355 HG21 THR 45 HG21 THR 45 -0.444 15.278 1.444 356 HG22 THR 45 HG22 THR 45 1.049 14.836 0.619 357 HG23 THR 45 HG23 THR 45 0.978 16.310 1.585 358 H GLY 46 HN GLY 46 4.373 13.073 2.865 359 HA2 GLY 46 HA2 GLY 46 5.448 12.587 5.263 360 HA3 GLY 46 HA1 GLY 46 3.855 11.883 5.534 361 H ILE 47 HN ILE 47 4.581 9.760 5.706 362 HA ILE 47 HA ILE 47 5.488 8.504 3.141 363 HB ILE 47 HB ILE 47 7.024 7.056 4.389 364 HG12 ILE 47 HG12 ILE 47 6.330 8.784 6.790 365 HG13 ILE 47 HG11 ILE 47 5.791 7.121 6.571 366 HG21 ILE 47 HG21 ILE 47 7.606 9.916 5.174 367 HG22 ILE 47 HG22 ILE 47 7.682 9.376 3.500 368 HG23 ILE 47 HG23 ILE 47 8.749 8.660 4.704 369 HD11 ILE 47 HD11 ILE 47 7.745 7.044 7.961 370 HD12 ILE 47 HD12 ILE 47 8.641 8.088 6.858 371 HD13 ILE 47 HD13 ILE 47 8.213 6.448 6.369 372 H ILE 48 HN ILE 48 5.061 6.159 3.094 373 HA ILE 48 HA ILE 48 3.214 5.064 5.075 374 HB ILE 48 HB ILE 48 1.696 6.456 3.722 375 HG12 ILE 48 HG12 ILE 48 1.308 3.530 3.053 376 HG13 ILE 48 HG11 ILE 48 1.029 4.193 4.664 377 HG21 ILE 48 HG21 ILE 48 3.061 6.368 1.630 378 HG22 ILE 48 HG22 ILE 48 1.360 5.993 1.357 379 HG23 ILE 48 HG23 ILE 48 2.550 4.694 1.409 380 HD11 ILE 48 HD11 ILE 48 -0.291 5.354 2.205 381 HD12 ILE 48 HD12 ILE 48 -0.730 5.599 3.895 382 HD13 ILE 48 HD13 ILE 48 -1.019 4.039 3.126 383 H LYS 49 HN LYS 49 2.904 2.812 4.806 384 HA LYS 49 HA LYS 49 5.024 1.476 3.312 385 HB2 LYS 49 HB2 LYS 49 2.802 0.438 5.071 386 HB3 LYS 49 HB1 LYS 49 4.028 -0.589 4.325 387 HG2 LYS 49 HG2 LYS 49 5.801 0.705 5.459 388 HG3 LYS 49 HG1 LYS 49 4.571 1.720 6.214 389 HD2 LYS 49 HD2 LYS 49 3.628 -0.230 7.363 390 HD3 LYS 49 HD1 LYS 49 4.802 -1.283 6.571 391 HE2 LYS 49 HE2 LYS 49 5.743 -0.862 8.704 392 HE3 LYS 49 HE1 LYS 49 6.604 0.238 7.627 393 HZ1 LYS 49 HZ1 LYS 49 4.845 1.919 8.241 394 HZ2 LYS 49 HZ2 LYS 49 5.956 1.518 9.462 395 HZ3 LYS 49 HZ3 LYS 49 4.389 0.863 9.488 396 H PHE 50 HN PHE 50 4.447 -0.520 1.894 397 HA PHE 50 HA PHE 50 1.803 -0.505 0.725 398 HB2 PHE 50 HB2 PHE 50 2.372 0.197 -1.471 399 HB3 PHE 50 HB1 PHE 50 3.068 1.413 -0.408 400 HD1 PHE 50 HD1 PHE 50 3.832 -1.603 -2.428 401 HD2 PHE 50 HD2 PHE 50 5.441 1.759 -0.304 402 HE1 PHE 50 HE1 PHE 50 6.061 -2.049 -3.419 403 HE2 PHE 50 HE2 PHE 50 7.672 1.318 -1.305 404 HZ PHE 50 HZ PHE 50 7.982 -0.588 -2.852 405 H THR 51 HN THR 51 1.470 -2.430 -0.499 406 HA THR 51 HA THR 51 3.790 -4.320 -0.676 407 HB THR 51 HB THR 51 1.020 -4.998 0.356 408 HG1 THR 51 HG1 THR 51 3.183 -5.412 1.963 409 HG21 THR 51 HG21 THR 51 3.544 -6.618 -0.056 410 HG22 THR 51 HG22 THR 51 1.969 -6.880 -0.805 411 HG23 THR 51 HG23 THR 51 2.184 -7.171 0.921 412 H ILE 52 HN ILE 52 3.936 -5.220 -2.629 413 HA ILE 52 HA ILE 52 1.602 -5.003 -4.499 414 HB ILE 52 HB ILE 52 4.540 -5.452 -5.096 415 HG12 ILE 52 HG12 ILE 52 2.841 -2.982 -5.547 416 HG13 ILE 52 HG11 ILE 52 3.887 -3.190 -4.144 417 HG21 ILE 52 HG21 ILE 52 3.154 -6.413 -6.826 418 HG22 ILE 52 HG22 ILE 52 3.753 -4.868 -7.428 419 HG23 ILE 52 HG23 ILE 52 2.097 -5.001 -6.835 420 HD11 ILE 52 HD11 ILE 52 5.849 -3.266 -5.493 421 HD12 ILE 52 HD12 ILE 52 4.897 -1.921 -6.122 422 HD13 ILE 52 HD13 ILE 52 4.912 -3.466 -6.973 423 H TRP 53 HN TRP 53 0.569 -6.848 -5.095 424 HA TRP 53 HA TRP 53 1.602 -9.425 -4.123 425 HB2 TRP 53 HB2 TRP 53 -0.971 -8.635 -5.526 426 HB3 TRP 53 HB1 TRP 53 -0.611 -10.256 -4.929 427 HD1 TRP 53 HD1 TRP 53 -1.968 -6.977 -3.852 428 HE1 TRP 53 HE1 TRP 53 -2.338 -6.954 -1.300 429 HE3 TRP 53 HE3 TRP 53 0.533 -11.236 -2.564 430 HZ2 TRP 53 HZ2 TRP 53 -1.661 -8.538 0.986 431 HZ3 TRP 53 HZ3 TRP 53 0.656 -11.956 -0.197 432 HH2 TRP 53 HH2 TRP 53 -0.437 -10.614 1.579 433 H LYS 54 HN LYS 54 2.221 -11.110 -5.431 434 HA LYS 54 HA LYS 54 3.381 -10.581 -7.969 435 HB2 LYS 54 HB2 LYS 54 3.908 -12.508 -6.390 436 HB3 LYS 54 HB1 LYS 54 2.432 -13.275 -6.964 437 HG2 LYS 54 HG2 LYS 54 3.982 -14.218 -8.431 438 HG3 LYS 54 HG1 LYS 54 3.476 -12.814 -9.367 439 HD2 LYS 54 HD2 LYS 54 5.413 -11.545 -8.574 440 HD3 LYS 54 HD1 LYS 54 5.898 -12.887 -7.539 441 HE2 LYS 54 HE2 LYS 54 6.165 -14.319 -9.532 442 HE3 LYS 54 HE1 LYS 54 5.713 -12.959 -10.560 443 HZ1 LYS 54 HZ1 LYS 54 7.635 -11.810 -10.027 444 HZ2 LYS 54 HZ2 LYS 54 8.185 -13.412 -10.158 445 HZ3 LYS 54 HZ3 LYS 54 7.928 -12.722 -8.627 446 H ASN 55 HN ASN 55 0.176 -11.652 -7.041 447 HA ASN 55 HA ASN 55 -0.737 -12.662 -9.526 448 HB2 ASN 55 HB2 ASN 55 -2.210 -11.192 -7.322 449 HB3 ASN 55 HB1 ASN 55 -3.016 -11.988 -8.674 450 HD21 ASN 55 HD21 ASN 55 -3.061 -12.692 -5.726 451 HD22 ASN 55 HD22 ASN 55 -2.546 -14.308 -5.652 452 H ALA 56 HN ALA 56 0.424 -9.600 -8.906 453 HA ALA 56 HA ALA 56 -1.385 -8.241 -10.852 454 HB1 ALA 56 HB1 ALA 56 0.958 -6.991 -9.411 455 HB2 ALA 56 HB2 ALA 56 -0.606 -7.194 -8.623 456 HB3 ALA 56 HB3 ALA 56 -0.474 -6.201 -10.074 457 H GLU 57 HN GLU 57 1.862 -9.507 -10.491 458 HA GLU 57 HA GLU 57 3.665 -9.614 -11.968 459 HB2 GLU 57 HB2 GLU 57 1.286 -9.844 -13.827 460 HB3 GLU 57 HB1 GLU 57 2.946 -10.068 -14.373 461 HG2 GLU 57 HG2 GLU 57 2.295 -12.266 -13.852 462 HG3 GLU 57 HG1 GLU 57 3.119 -11.776 -12.380 463 H LEU 58 HN LEU 58 3.508 -7.115 -11.185 464 HA LEU 58 HA LEU 58 3.561 -5.465 -13.646 465 HB2 LEU 58 HB2 LEU 58 3.412 -4.462 -10.813 466 HB3 LEU 58 HB1 LEU 58 3.152 -3.537 -12.288 467 HG LEU 58 HG LEU 58 1.445 -5.878 -11.412 468 HD11 LEU 58 HD11 LEU 58 1.011 -2.885 -11.255 469 HD12 LEU 58 HD12 LEU 58 1.071 -4.025 -9.910 470 HD13 LEU 58 HD13 LEU 58 -0.275 -4.075 -11.048 471 HD21 LEU 58 HD21 LEU 58 1.300 -5.738 -13.774 472 HD22 LEU 58 HD22 LEU 58 1.384 -3.976 -13.763 473 HD23 LEU 58 HD23 LEU 58 -0.077 -4.796 -13.215 474 HA PRO 59 HA PRO 59 7.965 -4.989 -13.379 475 HB2 PRO 59 HB2 PRO 59 7.593 -2.042 -13.737 476 HB3 PRO 59 HB1 PRO 59 8.511 -3.190 -14.729 477 HG2 PRO 59 HG2 PRO 59 6.156 -2.169 -15.528 478 HG3 PRO 59 HG1 PRO 59 6.671 -3.811 -15.952 479 HD2 PRO 59 HD2 PRO 59 4.636 -2.933 -13.958 480 HD3 PRO 59 HD1 PRO 59 4.714 -4.394 -14.962 481 H LEU 60 HN LEU 60 9.567 -4.413 -11.897 482 HA LEU 60 HA LEU 60 8.690 -3.653 -9.248 483 HB2 LEU 60 HB2 LEU 60 11.524 -3.844 -10.303 484 HB3 LEU 60 HB1 LEU 60 11.010 -3.927 -8.616 485 HG LEU 60 HG LEU 60 10.231 -5.902 -10.783 486 HD11 LEU 60 HD11 LEU 60 12.611 -6.051 -10.095 487 HD12 LEU 60 HD12 LEU 60 11.689 -7.462 -9.575 488 HD13 LEU 60 HD13 LEU 60 12.100 -6.200 -8.413 489 HD21 LEU 60 HD21 LEU 60 9.523 -7.186 -8.603 490 HD22 LEU 60 HD22 LEU 60 8.453 -5.948 -9.247 491 HD23 LEU 60 HD23 LEU 60 9.496 -5.581 -7.873 492 H LEU 61 HN LEU 61 9.219 -1.795 -8.078 493 HA LEU 61 HA LEU 61 9.458 0.651 -9.701 494 HB2 LEU 61 HB2 LEU 61 8.897 0.084 -6.788 495 HB3 LEU 61 HB1 LEU 61 9.185 1.721 -7.381 496 HG LEU 61 HG LEU 61 7.346 1.447 -9.013 497 HD11 LEU 61 HD11 LEU 61 7.252 -1.297 -7.757 498 HD12 LEU 61 HD12 LEU 61 7.226 -0.859 -9.465 499 HD13 LEU 61 HD13 LEU 61 5.802 -0.591 -8.467 500 HD21 LEU 61 HD21 LEU 61 6.382 0.695 -6.244 501 HD22 LEU 61 HD22 LEU 61 5.564 1.702 -7.438 502 HD23 LEU 61 HD23 LEU 61 7.010 2.299 -6.623 503 H GLU 62 HN GLU 62 11.167 2.110 -9.574 504 HA GLU 62 HA GLU 62 13.703 1.016 -8.481 505 HB2 GLU 62 HB2 GLU 62 13.091 3.327 -10.337 506 HB3 GLU 62 HB1 GLU 62 14.716 2.910 -9.785 507 HG2 GLU 62 HG2 GLU 62 14.513 0.680 -10.762 508 HG3 GLU 62 HG1 GLU 62 12.851 1.018 -11.244 509 H GLN 63 HN GLN 63 14.826 1.983 -6.854 510 HA GLN 63 HA GLN 63 13.423 3.747 -5.062 511 HB2 GLN 63 HB2 GLN 63 15.047 2.062 -4.281 512 HB3 GLN 63 HB1 GLN 63 16.345 2.958 -5.068 513 HG2 GLN 63 HG2 GLN 63 15.951 4.889 -3.651 514 HG3 GLN 63 HG1 GLN 63 14.518 4.135 -2.954 515 HE21 GLN 63 HE21 GLN 63 16.700 4.966 -1.296 516 HE22 GLN 63 HE22 GLN 63 17.437 3.583 -0.642 517 H GLY 64 HN GLY 64 13.602 5.927 -4.759 518 HA2 GLY 64 HA2 GLY 64 14.519 8.094 -4.967 519 HA3 GLY 64 HA1 GLY 64 15.749 7.455 -6.058 520 H GLU 65 HN GLU 65 13.281 6.066 -7.426 521 HA GLU 65 HA GLU 65 12.827 8.317 -9.301 522 HB2 GLU 65 HB2 GLU 65 12.207 5.357 -9.481 523 HB3 GLU 65 HB1 GLU 65 11.847 6.529 -10.749 524 HG2 GLU 65 HG2 GLU 65 14.614 6.058 -9.607 525 HG3 GLU 65 HG1 GLU 65 14.024 5.323 -11.097 526 H SER 66 HN SER 66 10.694 8.733 -10.118 527 HA SER 66 HA SER 66 8.658 8.682 -7.975 528 HB2 SER 66 HB2 SER 66 7.404 10.175 -9.578 529 HB3 SER 66 HB1 SER 66 8.950 10.806 -9.018 530 HG SER 66 HG SER 66 9.847 9.874 -10.975 531 H TYR 67 HN TYR 67 6.564 7.781 -8.270 532 HA TYR 67 HA TYR 67 6.088 6.192 -10.741 533 HB2 TYR 67 HB2 TYR 67 6.315 5.088 -7.936 534 HB3 TYR 67 HB1 TYR 67 5.301 4.286 -9.136 535 HD1 TYR 67 HD2 TYR 67 6.343 3.639 -11.375 536 HD2 TYR 67 HD1 TYR 67 8.663 4.776 -7.945 537 HE1 TYR 67 HE2 TYR 67 8.341 2.559 -12.369 538 HE2 TYR 67 HE1 TYR 67 10.653 3.701 -8.941 539 HH TYR 67 HH TYR 67 11.037 3.001 -12.006 540 H LEU 68 HN LEU 68 3.955 5.876 -11.180 541 HA LEU 68 HA LEU 68 1.989 7.294 -9.409 542 HB2 LEU 68 HB2 LEU 68 2.198 8.429 -11.526 543 HB3 LEU 68 HB1 LEU 68 2.006 6.918 -12.414 544 HG LEU 68 HG LEU 68 -0.288 6.703 -11.591 545 HD11 LEU 68 HD11 LEU 68 -1.200 8.810 -10.354 546 HD12 LEU 68 HD12 LEU 68 0.490 9.114 -9.961 547 HD13 LEU 68 HD13 LEU 68 -0.288 7.626 -9.423 548 HD21 LEU 68 HD21 LEU 68 -0.123 7.942 -13.620 549 HD22 LEU 68 HD22 LEU 68 0.457 9.379 -12.776 550 HD23 LEU 68 HD23 LEU 68 -1.218 8.861 -12.586 551 H LEU 69 HN LEU 69 0.361 6.066 -8.584 552 HA LEU 69 HA LEU 69 -0.036 3.310 -9.722 553 HB2 LEU 69 HB2 LEU 69 -0.563 4.113 -6.860 554 HB3 LEU 69 HB1 LEU 69 -0.407 2.497 -7.548 555 HG LEU 69 HG LEU 69 2.037 3.494 -8.247 556 HD11 LEU 69 HD11 LEU 69 1.358 5.652 -7.002 557 HD12 LEU 69 HD12 LEU 69 2.925 4.956 -6.600 558 HD13 LEU 69 HD13 LEU 69 1.550 4.715 -5.523 559 HD21 LEU 69 HD21 LEU 69 1.845 1.422 -7.090 560 HD22 LEU 69 HD22 LEU 69 1.156 2.194 -5.661 561 HD23 LEU 69 HD23 LEU 69 2.856 2.441 -6.064 562 H ARG 70 HN ARG 70 -1.900 3.284 -10.775 563 HA ARG 70 HA ARG 70 -4.185 4.953 -9.775 564 HB2 ARG 70 HB2 ARG 70 -3.673 3.684 -12.470 565 HB3 ARG 70 HB1 ARG 70 -5.143 4.555 -12.038 566 HG2 ARG 70 HG2 ARG 70 -3.864 6.590 -11.621 567 HG3 ARG 70 HG1 ARG 70 -2.355 5.729 -11.918 568 HD2 ARG 70 HD2 ARG 70 -2.968 6.961 -13.931 569 HD3 ARG 70 HD1 ARG 70 -3.137 5.233 -14.237 570 HE ARG 70 HE ARG 70 -5.632 6.326 -13.306 571 HH11 ARG 70 HH21 ARG 70 -3.492 6.176 -16.017 572 HH12 ARG 70 HH22 ARG 70 -4.752 6.398 -17.184 573 HH21 ARG 70 HH11 ARG 70 -7.275 6.615 -14.819 574 HH22 ARG 70 HH12 ARG 70 -6.891 6.647 -16.507 575 H SER 71 HN SER 71 -6.238 4.040 -9.562 576 HA SER 71 HA SER 71 -7.759 2.422 -8.894 577 HB2 SER 71 HB2 SER 71 -6.242 1.073 -11.107 578 HB3 SER 71 HB1 SER 71 -7.446 0.163 -10.198 579 HG SER 71 HG SER 71 -7.760 2.491 -11.759 580 H VAL 72 HN VAL 72 -6.070 2.684 -6.919 581 HA VAL 72 HA VAL 72 -5.096 -0.078 -6.227 582 HB VAL 72 HB VAL 72 -3.694 1.123 -4.517 583 HG11 VAL 72 HG11 VAL 72 -3.140 2.092 -7.327 584 HG12 VAL 72 HG12 VAL 72 -2.937 0.403 -6.861 585 HG13 VAL 72 HG13 VAL 72 -1.980 1.654 -6.076 586 HG21 VAL 72 HG21 VAL 72 -4.349 3.600 -6.131 587 HG22 VAL 72 HG22 VAL 72 -3.425 3.495 -4.632 588 HG23 VAL 72 HG23 VAL 72 -5.167 3.219 -4.615 589 H VAL 73 HN VAL 73 -5.277 -0.606 -3.904 590 HA VAL 73 HA VAL 73 -7.773 0.566 -2.697 591 HB VAL 73 HB VAL 73 -8.148 -1.692 -3.671 592 HG11 VAL 73 HG11 VAL 73 -7.030 -3.623 -2.788 593 HG12 VAL 73 HG12 VAL 73 -6.227 -2.666 -1.543 594 HG13 VAL 73 HG13 VAL 73 -5.773 -2.470 -3.237 595 HG21 VAL 73 HG21 VAL 73 -9.313 -2.547 -1.774 596 HG22 VAL 73 HG22 VAL 73 -9.286 -0.797 -1.559 597 HG23 VAL 73 HG23 VAL 73 -8.169 -1.816 -0.649 598 H VAL 74 HN VAL 74 -7.809 0.766 -0.465 599 HA VAL 74 HA VAL 74 -5.146 0.943 0.798 600 HB VAL 74 HB VAL 74 -7.898 1.705 1.818 601 HG11 VAL 74 HG11 VAL 74 -5.107 2.225 2.883 602 HG12 VAL 74 HG12 VAL 74 -6.385 1.306 3.677 603 HG13 VAL 74 HG13 VAL 74 -6.554 3.048 3.463 604 HG21 VAL 74 HG21 VAL 74 -7.314 3.949 1.186 605 HG22 VAL 74 HG22 VAL 74 -6.978 2.930 -0.214 606 HG23 VAL 74 HG23 VAL 74 -5.656 3.477 0.816 607 H GLY 75 HN GLY 75 -4.368 -0.530 2.235 608 HA2 GLY 75 HA2 GLY 75 -6.175 -2.754 3.078 609 HA3 GLY 75 HA1 GLY 75 -4.421 -2.848 2.961 610 H GLU 76 HN GLU 76 -6.269 -3.353 5.257 611 HA GLU 76 HA GLU 76 -5.449 -1.230 7.176 612 HB2 GLU 76 HB2 GLU 76 -7.809 -2.061 7.148 613 HB3 GLU 76 HB1 GLU 76 -7.218 -3.659 7.606 614 HG2 GLU 76 HG2 GLU 76 -6.223 -2.700 9.656 615 HG3 GLU 76 HG1 GLU 76 -6.828 -1.107 9.199 616 H TYR 77 HN TYR 77 -3.339 -1.588 7.745 617 HA TYR 77 HA TYR 77 -2.488 -4.367 8.456 618 HB2 TYR 77 HB2 TYR 77 -1.092 -3.097 6.852 619 HB3 TYR 77 HB1 TYR 77 -0.837 -1.851 8.074 620 HD1 TYR 77 HD1 TYR 77 -0.135 -5.354 7.124 621 HD2 TYR 77 HD2 TYR 77 0.604 -2.237 9.985 622 HE1 TYR 77 HE1 TYR 77 1.732 -6.677 8.082 623 HE2 TYR 77 HE2 TYR 77 2.470 -3.559 10.943 624 HH TYR 77 HH TYR 77 3.392 -6.712 9.556 625 H ASN 78 HN ASN 78 -2.983 -4.789 10.520 626 HA ASN 78 HA ASN 78 -3.355 -4.464 12.822 627 HB2 ASN 78 HB2 ASN 78 -0.945 -4.982 12.666 628 HB3 ASN 78 HB1 ASN 78 -0.586 -3.264 12.494 629 HD21 ASN 78 HD21 ASN 78 0.534 -3.018 14.528 630 HD22 ASN 78 HD22 ASN 78 -0.242 -3.205 16.026 631 H ASP 79 HN ASP 79 -1.367 -1.884 13.513 632 HA ASP 79 HA ASP 79 -3.705 -0.096 13.907 633 HB2 ASP 79 HB2 ASP 79 -0.839 -0.004 14.896 634 HB3 ASP 79 HB1 ASP 79 -2.021 1.267 15.215 635 H ARG 80 HN ARG 80 -0.984 -0.474 11.806 636 HA ARG 80 HA ARG 80 -1.119 2.369 10.925 637 HB2 ARG 80 HB2 ARG 80 0.763 0.100 10.256 638 HB3 ARG 80 HB1 ARG 80 0.822 1.682 9.476 639 HG2 ARG 80 HG2 ARG 80 1.171 2.774 11.636 640 HG3 ARG 80 HG1 ARG 80 1.032 1.223 12.466 641 HD2 ARG 80 HD2 ARG 80 3.011 0.387 11.273 642 HD3 ARG 80 HD1 ARG 80 3.138 1.911 10.397 643 HE ARG 80 HE ARG 80 3.984 2.946 12.366 644 HH11 ARG 80 HH21 ARG 80 2.810 -0.257 12.933 645 HH12 ARG 80 HH22 ARG 80 3.533 -0.379 14.501 646 HH21 ARG 80 HH11 ARG 80 4.929 2.791 14.403 647 HH22 ARG 80 HH12 ARG 80 4.730 1.344 15.333 648 H PHE 81 HN PHE 81 -1.305 2.839 8.636 649 HA PHE 81 HA PHE 81 -3.073 0.877 7.207 650 HB2 PHE 81 HB2 PHE 81 -2.909 3.898 7.086 651 HB3 PHE 81 HB1 PHE 81 -3.859 2.919 5.967 652 HD1 PHE 81 HD2 PHE 81 -5.789 1.595 6.767 653 HD2 PHE 81 HD1 PHE 81 -3.590 4.182 9.400 654 HE1 PHE 81 HE2 PHE 81 -7.632 1.478 8.422 655 HE2 PHE 81 HE1 PHE 81 -5.433 4.063 11.055 656 HZ PHE 81 HZ PHE 81 -7.454 2.712 10.566 657 H GLN 82 HN GLN 82 -2.733 0.616 4.924 658 HA GLN 82 HA GLN 82 -0.319 1.815 3.734 659 HB2 GLN 82 HB2 GLN 82 0.725 -0.331 3.208 660 HB3 GLN 82 HB1 GLN 82 0.538 -0.179 4.954 661 HG2 GLN 82 HG2 GLN 82 -1.580 -1.512 4.798 662 HG3 GLN 82 HG1 GLN 82 -1.265 -1.752 3.081 663 HE21 GLN 82 HE21 GLN 82 -0.559 -3.892 2.871 664 HE22 GLN 82 HE22 GLN 82 0.635 -4.618 3.836 665 H VAL 83 HN VAL 83 -0.125 1.187 1.407 666 HA VAL 83 HA VAL 83 -2.856 0.811 0.230 667 HB VAL 83 HB VAL 83 -1.962 1.868 -1.759 668 HG11 VAL 83 HG11 VAL 83 -1.252 4.065 -0.774 669 HG12 VAL 83 HG12 VAL 83 -1.149 3.275 0.799 670 HG13 VAL 83 HG13 VAL 83 -2.703 3.396 -0.026 671 HG21 VAL 83 HG21 VAL 83 0.673 1.553 -0.311 672 HG22 VAL 83 HG22 VAL 83 0.468 2.760 -1.582 673 HG23 VAL 83 HG23 VAL 83 0.251 1.052 -1.949 674 H GLN 84 HN GLN 84 -3.295 -1.070 -0.757 675 HA GLN 84 HA GLN 84 -1.033 -2.941 -1.363 676 HB2 GLN 84 HB2 GLN 84 -3.992 -3.421 -0.931 677 HB3 GLN 84 HB1 GLN 84 -2.847 -4.667 -1.429 678 HG2 GLN 84 HG2 GLN 84 -1.536 -4.332 0.605 679 HG3 GLN 84 HG1 GLN 84 -2.595 -3.010 1.097 680 HE21 GLN 84 HE21 GLN 84 -2.652 -4.790 3.019 681 HE22 GLN 84 HE22 GLN 84 -3.964 -5.864 2.930 682 H VAL 85 HN VAL 85 -0.552 -3.356 -3.437 683 HA VAL 85 HA VAL 85 -2.407 -2.355 -5.558 684 HB VAL 85 HB VAL 85 0.522 -3.107 -5.713 685 HG11 VAL 85 HG11 VAL 85 -1.445 -1.938 -7.692 686 HG12 VAL 85 HG12 VAL 85 -0.515 -3.427 -7.856 687 HG13 VAL 85 HG13 VAL 85 0.301 -1.865 -7.921 688 HG21 VAL 85 HG21 VAL 85 0.926 -0.707 -5.817 689 HG22 VAL 85 HG22 VAL 85 -0.003 -1.053 -4.358 690 HG23 VAL 85 HG23 VAL 85 -0.807 -0.379 -5.776 691 H ASN 86 HN ASN 86 -3.351 -3.779 -6.941 692 HA ASN 86 HA ASN 86 -2.307 -6.552 -7.139 693 HB2 ASN 86 HB2 ASN 86 -4.617 -7.456 -6.765 694 HB3 ASN 86 HB1 ASN 86 -3.910 -6.730 -5.322 695 HD21 ASN 86 HD21 ASN 86 -4.711 -4.553 -4.692 696 HD22 ASN 86 HD22 ASN 86 -6.222 -4.008 -5.240 697 H LYS 87 HN LYS 87 -4.107 -7.717 -8.628 698 HA LYS 87 HA LYS 87 -3.788 -6.880 -11.250 699 HB2 LYS 87 HB2 LYS 87 -5.983 -8.120 -11.695 700 HB3 LYS 87 HB1 LYS 87 -4.721 -9.032 -10.883 701 HG2 LYS 87 HG2 LYS 87 -6.585 -9.525 -9.547 702 HG3 LYS 87 HG1 LYS 87 -5.870 -8.198 -8.659 703 HD2 LYS 87 HD2 LYS 87 -7.470 -6.644 -9.421 704 HD3 LYS 87 HD1 LYS 87 -7.985 -7.676 -10.751 705 HE2 LYS 87 HE2 LYS 87 -9.645 -7.710 -8.978 706 HE3 LYS 87 HE1 LYS 87 -8.876 -9.292 -9.105 707 HZ1 LYS 87 HZ1 LYS 87 -7.425 -7.615 -7.341 708 HZ2 LYS 87 HZ2 LYS 87 -8.144 -9.125 -7.038 709 HZ3 LYS 87 HZ3 LYS 87 -9.050 -7.699 -6.860 710 H ASN 88 HN ASN 88 -5.647 -6.072 -12.749 711 HA ASN 88 HA ASN 88 -7.144 -4.373 -13.350 712 HB2 ASN 88 HB2 ASN 88 -8.329 -5.400 -11.220 713 HB3 ASN 88 HB1 ASN 88 -7.824 -3.902 -10.443 714 HD21 ASN 88 HD21 ASN 88 -8.872 -1.935 -11.071 715 HD22 ASN 88 HD22 ASN 88 -10.206 -1.906 -12.121 716 H SER 89 HN SER 89 -4.876 -3.836 -10.727 717 HA SER 89 HA SER 89 -5.004 -0.935 -10.916 718 HB2 SER 89 HB2 SER 89 -3.418 -0.908 -9.194 719 HB3 SER 89 HB1 SER 89 -4.294 -2.404 -8.881 720 HG SER 89 HG SER 89 -1.710 -1.984 -9.816 721 H SER 90 HN SER 90 -2.957 0.317 -11.412 722 HA SER 90 HA SER 90 -1.246 -0.992 -13.476 723 HB2 SER 90 HB2 SER 90 -1.553 1.023 -14.930 724 HB3 SER 90 HB1 SER 90 -3.014 0.055 -14.757 725 HG SER 90 HG SER 90 -3.310 1.612 -12.843 726 H ILE 91 HN ILE 91 0.712 0.310 -13.944 727 HA ILE 91 HA ILE 91 1.360 2.346 -11.877 728 HB ILE 91 HB ILE 91 3.023 -0.107 -12.507 729 HG12 ILE 91 HG12 ILE 91 1.830 0.837 -9.882 730 HG13 ILE 91 HG11 ILE 91 1.083 -0.381 -10.909 731 HG21 ILE 91 HG21 ILE 91 4.499 0.920 -10.678 732 HG22 ILE 91 HG22 ILE 91 3.591 2.410 -10.926 733 HG23 ILE 91 HG23 ILE 91 4.536 1.722 -12.247 734 HD11 ILE 91 HD11 ILE 91 3.060 -1.801 -10.728 735 HD12 ILE 91 HD12 ILE 91 2.438 -1.415 -9.124 736 HD13 ILE 91 HD13 ILE 91 3.860 -0.580 -9.744 737 H GLU 92 HN GLU 92 2.442 4.042 -12.761 738 HA GLU 92 HA GLU 92 3.806 3.642 -15.409 739 HB2 GLU 92 HB2 GLU 92 1.620 4.790 -15.706 740 HB3 GLU 92 HB1 GLU 92 2.140 6.037 -14.572 741 HG2 GLU 92 HG2 GLU 92 4.023 6.620 -16.043 742 HG3 GLU 92 HG1 GLU 92 3.556 5.342 -17.166 743 H LYS 93 HN LYS 93 5.843 4.357 -15.431 744 HA LYS 93 HA LYS 93 6.968 5.619 -13.043 745 HB2 LYS 93 HB2 LYS 93 8.180 3.856 -14.311 746 HB3 LYS 93 HB1 LYS 93 8.279 4.946 -15.692 747 HG2 LYS 93 HG2 LYS 93 9.561 6.559 -14.358 748 HG3 LYS 93 HG1 LYS 93 9.422 5.518 -12.940 749 HD2 LYS 93 HD2 LYS 93 10.638 3.728 -14.136 750 HD3 LYS 93 HD1 LYS 93 10.793 4.777 -15.545 751 HE2 LYS 93 HE2 LYS 93 12.066 6.406 -14.196 752 HE3 LYS 93 HE1 LYS 93 11.910 5.361 -12.785 753 HZ1 LYS 93 HZ1 LYS 93 14.038 5.069 -13.924 754 HZ2 LYS 93 HZ2 LYS 93 13.223 4.597 -15.338 755 HZ3 LYS 93 HZ3 LYS 93 13.122 3.642 -13.936 756 H LEU 94 HN LEU 94 7.804 7.723 -12.924 757 HA LEU 94 HA LEU 94 7.113 9.540 -15.215 758 HB2 LEU 94 HB2 LEU 94 6.874 9.902 -12.223 759 HB3 LEU 94 HB1 LEU 94 6.941 11.285 -13.315 760 HG LEU 94 HG LEU 94 5.004 9.936 -14.604 761 HD11 LEU 94 HD11 LEU 94 5.329 8.036 -12.849 762 HD12 LEU 94 HD12 LEU 94 3.698 8.522 -13.277 763 HD13 LEU 94 HD13 LEU 94 4.420 9.092 -11.773 764 HD21 LEU 94 HD21 LEU 94 4.779 11.652 -12.137 765 HD22 LEU 94 HD22 LEU 94 3.345 11.094 -13.002 766 HD23 LEU 94 HD23 LEU 94 4.535 12.104 -13.823 767 H SER 95 HN SER 95 8.570 11.098 -15.767 768 HA SER 95 HA SER 95 11.350 10.597 -14.942 769 HB2 SER 95 HB2 SER 95 11.911 12.140 -16.747 770 HB3 SER 95 HB1 SER 95 10.720 10.979 -17.324 771 HG SER 95 HG SER 95 9.310 12.893 -16.318 772 H GLU 96 HN GLU 96 9.117 12.043 -13.255 773 HA GLU 96 HA GLU 96 10.710 14.478 -12.673 774 HB2 GLU 96 HB2 GLU 96 8.505 14.981 -13.558 775 HB3 GLU 96 HB1 GLU 96 7.773 14.064 -12.241 776 HG2 GLU 96 HG2 GLU 96 8.569 15.601 -10.595 777 HG3 GLU 96 HG1 GLU 96 9.680 16.362 -11.736 778 HA PRO 97 HA PRO 97 11.153 12.156 -8.793 779 HB2 PRO 97 HB2 PRO 97 13.011 13.783 -7.624 780 HB3 PRO 97 HB1 PRO 97 13.417 12.639 -8.919 781 HG2 PRO 97 HG2 PRO 97 12.986 15.588 -9.065 782 HG3 PRO 97 HG1 PRO 97 14.167 14.576 -9.917 783 HD2 PRO 97 HD2 PRO 97 11.827 15.500 -11.033 784 HD3 PRO 97 HD1 PRO 97 12.700 14.049 -11.594 785 H ILE 98 HN ILE 98 10.643 12.508 -6.543 786 HA ILE 98 HA ILE 98 8.920 14.919 -6.074 787 HB ILE 98 HB ILE 98 8.869 12.210 -4.722 788 HG12 ILE 98 HG12 ILE 98 8.111 12.131 -7.067 789 HG13 ILE 98 HG11 ILE 98 6.756 11.912 -5.964 790 HG21 ILE 98 HG21 ILE 98 6.660 13.119 -3.873 791 HG22 ILE 98 HG22 ILE 98 7.177 14.700 -4.456 792 HG23 ILE 98 HG23 ILE 98 8.091 13.886 -3.186 793 HD11 ILE 98 HD11 ILE 98 6.547 14.566 -6.216 794 HD12 ILE 98 HD12 ILE 98 5.867 13.490 -7.421 795 HD13 ILE 98 HD13 ILE 98 7.421 14.256 -7.712 796 H GLU 99 HN GLU 99 9.340 16.260 -4.378 797 HA GLU 99 HA GLU 99 11.876 15.748 -2.909 798 HB2 GLU 99 HB2 GLU 99 11.546 17.925 -4.073 799 HB3 GLU 99 HB1 GLU 99 10.158 18.249 -3.036 800 HG2 GLU 99 HG2 GLU 99 11.615 18.117 -1.041 801 HG3 GLU 99 HG1 GLU 99 13.003 17.784 -2.078 802 H VAL 100 HN VAL 100 11.782 14.947 -0.925 803 HA VAL 100 HA VAL 100 9.326 15.407 0.748 804 HB VAL 100 HB VAL 100 11.182 13.002 0.680 805 HG11 VAL 100 HG11 VAL 100 9.334 12.088 2.224 806 HG12 VAL 100 HG12 VAL 100 8.842 13.769 2.434 807 HG13 VAL 100 HG13 VAL 100 10.454 13.253 2.929 808 HG21 VAL 100 HG21 VAL 100 8.260 13.295 -0.091 809 HG22 VAL 100 HG22 VAL 100 9.212 11.813 -0.174 810 HG23 VAL 100 HG23 VAL 100 9.595 13.168 -1.236 811 H GLY 101 HN GLY 101 10.477 17.362 1.461 812 HA2 GLY 101 HA2 GLY 101 12.699 16.767 3.408 813 HA3 GLY 101 HA1 GLY 101 12.579 18.275 2.501 814 H LEU 102 HN LEU 102 9.615 16.922 3.579 815 HA LEU 102 HA LEU 102 8.911 19.216 5.114 816 HB2 LEU 102 HB2 LEU 102 7.396 17.379 4.052 817 HB3 LEU 102 HB1 LEU 102 7.700 16.475 5.536 818 HG LEU 102 HG LEU 102 7.013 18.780 6.698 819 HD11 LEU 102 HD11 LEU 102 5.324 18.926 4.196 820 HD12 LEU 102 HD12 LEU 102 6.834 19.822 4.327 821 HD13 LEU 102 HD13 LEU 102 5.523 20.138 5.459 822 HD21 LEU 102 HD21 LEU 102 5.025 16.869 5.435 823 HD22 LEU 102 HD22 LEU 102 4.662 17.985 6.752 824 HD23 LEU 102 HD23 LEU 102 5.812 16.670 7.001 825 H GLU 103 HN GLU 103 10.212 16.074 6.035 826 HA GLU 103 HA GLU 103 9.978 16.123 8.815 827 HB2 GLU 103 HB2 GLU 103 12.267 15.175 7.072 828 HB3 GLU 103 HB1 GLU 103 12.144 14.817 8.796 829 HG2 GLU 103 HG2 GLU 103 10.008 13.683 8.444 830 HG3 GLU 103 HG1 GLU 103 10.030 14.116 6.734 831 H HIS 104 HN HIS 104 11.675 18.334 6.858 832 HA HIS 104 HA HIS 104 13.569 19.151 8.977 833 HB2 HIS 104 HB2 HIS 104 13.002 20.202 6.188 834 HB3 HIS 104 HB1 HIS 104 14.200 20.906 7.273 835 HD1 HIS 104 HD1 HIS 104 13.464 17.756 5.326 836 HD2 HIS 104 HD2 HIS 104 16.584 19.414 7.539 837 HE1 HIS 104 HE1 HIS 104 15.484 16.278 4.936 838 H HIS 105 HN HIS 105 13.071 20.692 10.443 839 HA HIS 105 HA HIS 105 11.054 22.773 9.814 840 HB2 HIS 105 HB2 HIS 105 9.835 22.314 11.931 841 HB3 HIS 105 HB1 HIS 105 9.727 20.958 10.808 842 HD1 HIS 105 HD1 HIS 105 11.482 18.949 11.266 843 HD2 HIS 105 HD2 HIS 105 10.968 21.661 14.390 844 HE1 HIS 105 HE1 HIS 105 12.399 17.829 13.344 845 H HIS 106 HN HIS 106 13.879 22.938 10.141 846 HA HIS 106 HA HIS 106 15.529 24.038 11.396 847 HB2 HIS 106 HB2 HIS 106 14.090 25.945 10.818 848 HB3 HIS 106 HB1 HIS 106 13.088 25.633 12.237 849 HD1 HIS 106 HD1 HIS 106 16.704 26.477 11.379 850 HD2 HIS 106 HD2 HIS 106 14.029 26.837 14.556 851 HE1 HIS 106 HE1 HIS 106 17.889 27.828 13.163 852 H HIS 107 HN HIS 107 16.128 22.401 12.839 853 HA HIS 107 HA HIS 107 15.212 22.795 15.639 854 HB2 HIS 107 HB2 HIS 107 13.825 20.964 14.539 855 HB3 HIS 107 HB1 HIS 107 15.320 20.042 14.379 856 HD1 HIS 107 HD1 HIS 107 16.555 19.394 16.654 857 HD2 HIS 107 HD2 HIS 107 12.716 20.953 17.107 858 HE1 HIS 107 HE1 HIS 107 15.841 18.862 19.026 859 H HIS 108 HN HIS 108 17.271 20.685 13.597 860 HA HIS 108 HA HIS 108 19.650 21.550 15.097 861 HB2 HIS 108 HB2 HIS 108 18.754 19.725 16.506 862 HB3 HIS 108 HB1 HIS 108 18.760 18.647 15.110 863 HD1 HIS 108 HD1 HIS 108 21.290 20.906 16.884 864 HD2 HIS 108 HD2 HIS 108 21.103 17.211 14.965 865 HE1 HIS 108 HE1 HIS 108 23.603 19.890 17.061 866 H HIS 109 HN HIS 109 21.484 21.355 13.858 867 HA HIS 109 HA HIS 109 21.183 20.818 11.034 868 HB2 HIS 109 HB2 HIS 109 23.657 21.222 12.743 869 HB3 HIS 109 HB1 HIS 109 23.653 21.187 10.980 870 HD1 HIS 109 HD1 HIS 109 24.590 23.764 12.190 871 HD2 HIS 109 HD2 HIS 109 20.552 23.030 11.455 872 HE1 HIS 109 HE1 HIS 109 23.464 26.027 12.050 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -11.824 9.293 -16.529 2 H2 MET 1 HT2 MET 1 -11.866 10.985 -16.678 3 H3 MET 1 HT3 MET 1 -11.561 10.268 -15.168 4 HA MET 1 HA MET 1 -9.598 9.180 -16.595 5 HB2 MET 1 HB2 MET 1 -10.262 10.520 -18.584 6 HB3 MET 1 HB1 MET 1 -9.997 11.998 -17.659 7 HG2 MET 1 HG2 MET 1 -7.637 11.411 -17.349 8 HG3 MET 1 HG1 MET 1 -7.887 9.886 -18.198 9 HE1 MET 1 HE1 MET 1 -7.946 10.586 -21.802 10 HE2 MET 1 HE2 MET 1 -9.035 9.845 -20.632 11 HE3 MET 1 HE3 MET 1 -7.299 9.575 -20.502 12 H GLU 2 HN GLU 2 -9.796 12.661 -15.920 13 HA GLU 2 HA GLU 2 -7.601 13.170 -14.470 14 HB2 GLU 2 HB2 GLU 2 -10.402 14.041 -13.866 15 HB3 GLU 2 HB1 GLU 2 -9.026 14.634 -12.936 16 HG2 GLU 2 HG2 GLU 2 -9.506 16.173 -14.788 17 HG3 GLU 2 HG1 GLU 2 -7.947 15.390 -15.040 18 HA PRO 3 HA PRO 3 -7.978 9.688 -11.489 19 HB2 PRO 3 HB2 PRO 3 -5.208 10.667 -10.899 20 HB3 PRO 3 HB1 PRO 3 -5.777 9.015 -11.204 21 HG2 PRO 3 HG2 PRO 3 -4.409 10.372 -13.048 22 HG3 PRO 3 HG1 PRO 3 -5.736 9.286 -13.496 23 HD2 PRO 3 HD2 PRO 3 -5.701 12.278 -13.392 24 HD3 PRO 3 HD1 PRO 3 -6.535 11.186 -14.522 25 H GLN 4 HN GLN 4 -8.496 9.767 -9.326 26 HA GLN 4 HA GLN 4 -8.757 12.398 -8.085 27 HB2 GLN 4 HB2 GLN 4 -9.409 9.598 -7.127 28 HB3 GLN 4 HB1 GLN 4 -9.751 11.057 -6.194 29 HG2 GLN 4 HG2 GLN 4 -11.152 11.917 -8.024 30 HG3 GLN 4 HG1 GLN 4 -10.785 10.488 -8.989 31 HE21 GLN 4 HE21 GLN 4 -13.347 11.618 -7.479 32 HE22 GLN 4 HE22 GLN 4 -13.962 10.225 -6.729 33 H LEU 5 HN LEU 5 -7.128 13.338 -6.984 34 HA LEU 5 HA LEU 5 -4.908 11.676 -5.950 35 HB2 LEU 5 HB2 LEU 5 -5.207 14.691 -6.033 36 HB3 LEU 5 HB1 LEU 5 -3.732 13.791 -5.683 37 HG LEU 5 HG LEU 5 -5.266 13.693 -8.297 38 HD11 LEU 5 HD11 LEU 5 -2.503 14.818 -7.801 39 HD12 LEU 5 HD12 LEU 5 -3.951 15.823 -7.714 40 HD13 LEU 5 HD13 LEU 5 -3.522 15.023 -9.226 41 HD21 LEU 5 HD21 LEU 5 -2.994 12.552 -8.959 42 HD22 LEU 5 HD22 LEU 5 -4.216 11.598 -8.132 43 HD23 LEU 5 HD23 LEU 5 -2.844 12.245 -7.228 44 H THR 6 HN THR 6 -4.729 11.167 -3.868 45 HA THR 6 HA THR 6 -6.221 12.821 -1.842 46 HB THR 6 HB THR 6 -7.368 10.637 -2.373 47 HG1 THR 6 HG1 THR 6 -6.547 11.614 0.026 48 HG21 THR 6 HG21 THR 6 -5.137 9.435 -2.710 49 HG22 THR 6 HG22 THR 6 -6.348 8.572 -1.764 50 HG23 THR 6 HG23 THR 6 -5.012 9.389 -0.952 51 H LYS 7 HN LYS 7 -5.246 12.899 0.244 52 HA LYS 7 HA LYS 7 -2.315 12.570 0.148 53 HB2 LYS 7 HB2 LYS 7 -4.133 13.797 2.242 54 HB3 LYS 7 HB1 LYS 7 -2.371 13.879 2.240 55 HG2 LYS 7 HG2 LYS 7 -2.463 15.021 0.020 56 HG3 LYS 7 HG1 LYS 7 -4.219 15.029 0.132 57 HD2 LYS 7 HD2 LYS 7 -2.408 16.280 2.217 58 HD3 LYS 7 HD1 LYS 7 -3.128 17.180 0.884 59 HE2 LYS 7 HE2 LYS 7 -5.387 16.211 1.732 60 HE3 LYS 7 HE1 LYS 7 -4.501 15.840 3.210 61 HZ1 LYS 7 HZ1 LYS 7 -3.841 18.181 3.319 62 HZ2 LYS 7 HZ2 LYS 7 -5.526 17.977 3.395 63 HZ3 LYS 7 HZ3 LYS 7 -4.796 18.508 1.956 64 H ILE 8 HN ILE 8 -1.226 11.042 1.278 65 HA ILE 8 HA ILE 8 -2.375 8.713 2.259 66 HB ILE 8 HB ILE 8 -0.190 8.517 3.617 67 HG12 ILE 8 HG12 ILE 8 0.489 11.000 2.040 68 HG13 ILE 8 HG11 ILE 8 0.023 11.058 3.736 69 HG21 ILE 8 HG21 ILE 8 -0.410 7.516 1.413 70 HG22 ILE 8 HG22 ILE 8 1.162 8.311 1.521 71 HG23 ILE 8 HG23 ILE 8 -0.160 9.081 0.640 72 HD11 ILE 8 HD11 ILE 8 2.502 10.983 3.355 73 HD12 ILE 8 HD12 ILE 8 2.305 9.368 2.687 74 HD13 ILE 8 HD13 ILE 8 1.901 9.683 4.375 75 H VAL 9 HN VAL 9 -1.771 11.722 3.926 76 HA VAL 9 HA VAL 9 -2.371 10.741 6.583 77 HB VAL 9 HB VAL 9 -1.065 12.872 5.921 78 HG11 VAL 9 HG11 VAL 9 -2.266 14.844 5.434 79 HG12 VAL 9 HG12 VAL 9 -3.801 14.154 5.965 80 HG13 VAL 9 HG13 VAL 9 -3.070 13.620 4.452 81 HG21 VAL 9 HG21 VAL 9 -1.808 12.245 8.257 82 HG22 VAL 9 HG22 VAL 9 -3.263 13.205 7.989 83 HG23 VAL 9 HG23 VAL 9 -1.681 13.982 7.983 84 H ASP 10 HN ASP 10 -4.331 10.954 3.986 85 HA ASP 10 HA ASP 10 -6.765 11.565 5.645 86 HB2 ASP 10 HB2 ASP 10 -6.161 12.147 2.737 87 HB3 ASP 10 HB1 ASP 10 -7.789 12.214 3.412 88 H ILE 11 HN ILE 11 -5.080 9.081 4.444 89 HA ILE 11 HA ILE 11 -6.973 7.591 2.895 90 HB ILE 11 HB ILE 11 -4.583 6.846 4.582 91 HG12 ILE 11 HG12 ILE 11 -5.087 6.384 1.638 92 HG13 ILE 11 HG11 ILE 11 -4.460 7.906 2.244 93 HG21 ILE 11 HG21 ILE 11 -6.584 5.015 3.262 94 HG22 ILE 11 HG22 ILE 11 -5.909 4.913 4.887 95 HG23 ILE 11 HG23 ILE 11 -4.909 4.515 3.492 96 HD11 ILE 11 HD11 ILE 11 -2.591 6.649 3.345 97 HD12 ILE 11 HD12 ILE 11 -2.591 6.461 1.591 98 HD13 ILE 11 HD13 ILE 11 -3.206 5.165 2.617 99 H VAL 12 HN VAL 12 -6.168 7.390 6.392 100 HA VAL 12 HA VAL 12 -7.335 5.717 7.769 101 HB VAL 12 HB VAL 12 -9.017 7.235 8.920 102 HG11 VAL 12 HG11 VAL 12 -6.174 8.116 8.376 103 HG12 VAL 12 HG12 VAL 12 -6.768 7.163 9.736 104 HG13 VAL 12 HG13 VAL 12 -7.190 8.871 9.605 105 HG21 VAL 12 HG21 VAL 12 -9.244 9.494 8.202 106 HG22 VAL 12 HG22 VAL 12 -9.467 8.527 6.743 107 HG23 VAL 12 HG23 VAL 12 -7.930 9.338 7.036 108 H GLU 13 HN GLU 13 -8.110 4.428 5.750 109 HA GLU 13 HA GLU 13 -10.876 3.834 6.125 110 HB2 GLU 13 HB2 GLU 13 -11.026 5.989 4.772 111 HB3 GLU 13 HB1 GLU 13 -10.263 5.117 3.450 112 HG2 GLU 13 HG2 GLU 13 -12.626 4.949 3.093 113 HG3 GLU 13 HG1 GLU 13 -12.110 3.378 3.709 114 H ASN 14 HN ASN 14 -10.567 1.663 6.018 115 HA ASN 14 HA ASN 14 -8.649 0.483 4.155 116 HB2 ASN 14 HB2 ASN 14 -9.287 -1.644 5.187 117 HB3 ASN 14 HB1 ASN 14 -8.976 -0.439 6.434 118 HD21 ASN 14 HD21 ASN 14 -10.564 -2.560 7.209 119 HD22 ASN 14 HD22 ASN 14 -12.188 -2.082 7.338 120 H GLY 15 HN GLY 15 -9.110 -0.661 2.316 121 HA2 GLY 15 HA2 GLY 15 -10.388 -1.628 0.588 122 HA3 GLY 15 HA1 GLY 15 -11.830 -1.428 1.585 123 H GLN 16 HN GLN 16 -9.867 1.365 1.231 124 HA GLN 16 HA GLN 16 -12.000 2.642 -0.374 125 HB2 GLN 16 HB2 GLN 16 -11.135 3.787 1.640 126 HB3 GLN 16 HB1 GLN 16 -9.531 3.845 0.913 127 HG2 GLN 16 HG2 GLN 16 -10.316 5.249 -0.883 128 HG3 GLN 16 HG1 GLN 16 -11.994 5.032 -0.388 129 HE21 GLN 16 HE21 GLN 16 -8.958 5.979 1.353 130 HE22 GLN 16 HE22 GLN 16 -9.650 7.335 2.104 131 H TRP 17 HN TRP 17 -11.751 3.319 -2.453 132 HA TRP 17 HA TRP 17 -9.233 2.540 -3.851 133 HB2 TRP 17 HB2 TRP 17 -12.015 3.182 -4.855 134 HB3 TRP 17 HB1 TRP 17 -10.640 2.850 -5.910 135 HD1 TRP 17 HD1 TRP 17 -13.056 1.176 -3.503 136 HE1 TRP 17 HE1 TRP 17 -12.788 -1.382 -3.689 137 HE3 TRP 17 HE3 TRP 17 -8.920 0.940 -6.485 138 HZ2 TRP 17 HZ2 TRP 17 -11.045 -3.278 -4.940 139 HZ3 TRP 17 HZ3 TRP 17 -7.978 -1.249 -7.159 140 HH2 TRP 17 HH2 TRP 17 -9.034 -3.357 -6.392 141 H ALA 18 HN ALA 18 -7.876 4.081 -4.595 142 HA ALA 18 HA ALA 18 -8.824 6.744 -5.351 143 HB1 ALA 18 HB1 ALA 18 -8.621 6.887 -2.844 144 HB2 ALA 18 HB2 ALA 18 -7.579 8.014 -3.713 145 HB3 ALA 18 HB3 ALA 18 -6.901 6.541 -3.019 146 H ASN 19 HN ASN 19 -6.613 8.168 -5.570 147 HA ASN 19 HA ASN 19 -4.475 6.428 -6.740 148 HB2 ASN 19 HB2 ASN 19 -5.829 8.751 -8.136 149 HB3 ASN 19 HB1 ASN 19 -4.386 7.928 -8.720 150 HD21 ASN 19 HD21 ASN 19 -6.941 7.979 -10.147 151 HD22 ASN 19 HD22 ASN 19 -7.492 6.376 -10.239 152 H LEU 20 HN LEU 20 -2.409 7.307 -6.557 153 HA LEU 20 HA LEU 20 -2.048 10.100 -5.802 154 HB2 LEU 20 HB2 LEU 20 -2.668 9.100 -3.631 155 HB3 LEU 20 HB1 LEU 20 -1.388 7.902 -3.811 156 HG LEU 20 HG LEU 20 0.298 9.734 -3.867 157 HD11 LEU 20 HD11 LEU 20 -0.738 12.004 -2.975 158 HD12 LEU 20 HD12 LEU 20 -2.205 11.397 -3.735 159 HD13 LEU 20 HD13 LEU 20 -0.745 11.642 -4.695 160 HD21 LEU 20 HD21 LEU 20 -0.060 10.507 -1.480 161 HD22 LEU 20 HD22 LEU 20 -0.083 8.760 -1.719 162 HD23 LEU 20 HD23 LEU 20 -1.597 9.642 -1.516 163 H LYS 21 HN LYS 21 0.080 10.790 -6.073 164 HA LYS 21 HA LYS 21 1.919 8.824 -7.367 165 HB2 LYS 21 HB2 LYS 21 3.147 10.925 -8.065 166 HB3 LYS 21 HB1 LYS 21 1.515 10.777 -8.718 167 HG2 LYS 21 HG2 LYS 21 0.641 12.275 -7.019 168 HG3 LYS 21 HG1 LYS 21 2.204 12.332 -6.211 169 HD2 LYS 21 HD2 LYS 21 1.946 14.344 -7.554 170 HD3 LYS 21 HD1 LYS 21 3.194 13.330 -8.278 171 HE2 LYS 21 HE2 LYS 21 1.803 12.660 -10.047 172 HE3 LYS 21 HE1 LYS 21 0.326 13.090 -9.183 173 HZ1 LYS 21 HZ1 LYS 21 2.336 14.936 -10.341 174 HZ2 LYS 21 HZ2 LYS 21 1.084 15.439 -9.310 175 HZ3 LYS 21 HZ3 LYS 21 0.720 14.741 -10.815 176 H ALA 22 HN ALA 22 3.945 8.444 -6.501 177 HA ALA 22 HA ALA 22 4.918 10.044 -4.209 178 HB1 ALA 22 HB1 ALA 22 4.571 7.078 -3.780 179 HB2 ALA 22 HB2 ALA 22 3.284 8.210 -3.372 180 HB3 ALA 22 HB3 ALA 22 4.855 8.343 -2.582 181 H LYS 23 HN LYS 23 7.055 9.464 -3.560 182 HA LYS 23 HA LYS 23 8.649 8.289 -5.804 183 HB2 LYS 23 HB2 LYS 23 10.483 9.535 -5.016 184 HB3 LYS 23 HB1 LYS 23 9.106 10.606 -4.761 185 HG2 LYS 23 HG2 LYS 23 8.980 9.599 -2.403 186 HG3 LYS 23 HG1 LYS 23 10.578 8.941 -2.711 187 HD2 LYS 23 HD2 LYS 23 9.875 11.877 -2.962 188 HD3 LYS 23 HD1 LYS 23 10.645 11.158 -1.549 189 HE2 LYS 23 HE2 LYS 23 12.437 10.278 -3.161 190 HE3 LYS 23 HE1 LYS 23 11.746 11.377 -4.356 191 HZ1 LYS 23 HZ1 LYS 23 13.639 12.272 -2.995 192 HZ2 LYS 23 HZ2 LYS 23 12.584 12.275 -1.664 193 HZ3 LYS 23 HZ3 LYS 23 12.240 13.229 -3.027 194 H VAL 24 HN VAL 24 10.215 6.649 -5.412 195 HA VAL 24 HA VAL 24 9.502 4.857 -3.172 196 HB VAL 24 HB VAL 24 11.371 4.521 -5.534 197 HG11 VAL 24 HG11 VAL 24 12.114 3.075 -3.748 198 HG12 VAL 24 HG12 VAL 24 11.197 2.094 -4.883 199 HG13 VAL 24 HG13 VAL 24 10.457 2.606 -3.370 200 HG21 VAL 24 HG21 VAL 24 8.742 4.699 -5.759 201 HG22 VAL 24 HG22 VAL 24 8.765 3.066 -5.100 202 HG23 VAL 24 HG23 VAL 24 9.607 3.423 -6.608 203 H ILE 25 HN ILE 25 10.443 5.572 -1.303 204 HA ILE 25 HA ILE 25 13.121 6.671 -1.188 205 HB ILE 25 HB ILE 25 11.281 5.602 0.979 206 HG12 ILE 25 HG12 ILE 25 11.992 8.472 0.301 207 HG13 ILE 25 HG11 ILE 25 10.562 7.663 -0.342 208 HG21 ILE 25 HG21 ILE 25 13.952 7.015 1.095 209 HG22 ILE 25 HG22 ILE 25 13.492 5.494 1.859 210 HG23 ILE 25 HG23 ILE 25 12.827 7.015 2.454 211 HD11 ILE 25 HD11 ILE 25 11.105 7.699 2.629 212 HD12 ILE 25 HD12 ILE 25 9.574 7.452 1.789 213 HD13 ILE 25 HD13 ILE 25 10.303 9.057 1.843 214 H GLN 26 HN GLN 26 11.757 3.456 -1.003 215 HA GLN 26 HA GLN 26 14.360 2.236 -1.222 216 HB2 GLN 26 HB2 GLN 26 14.412 2.846 1.196 217 HB3 GLN 26 HB1 GLN 26 12.949 1.895 1.450 218 HG2 GLN 26 HG2 GLN 26 14.083 -0.146 0.835 219 HG3 GLN 26 HG1 GLN 26 15.506 0.745 0.290 220 HE21 GLN 26 HE21 GLN 26 17.163 0.642 1.809 221 HE22 GLN 26 HE22 GLN 26 16.947 0.585 3.492 222 H LEU 27 HN LEU 27 14.183 -0.158 -1.247 223 HA LEU 27 HA LEU 27 11.389 -1.154 -1.643 224 HB2 LEU 27 HB2 LEU 27 13.749 -1.579 -3.496 225 HB3 LEU 27 HB1 LEU 27 12.219 -2.442 -3.617 226 HG LEU 27 HG LEU 27 12.493 0.574 -3.717 227 HD11 LEU 27 HD11 LEU 27 11.898 -1.308 -6.013 228 HD12 LEU 27 HD12 LEU 27 13.521 -0.713 -5.665 229 HD13 LEU 27 HD13 LEU 27 12.242 0.417 -6.102 230 HD21 LEU 27 HD21 LEU 27 10.282 0.255 -3.111 231 HD22 LEU 27 HD22 LEU 27 10.197 -1.362 -3.806 232 HD23 LEU 27 HD23 LEU 27 10.101 0.049 -4.846 233 H TRP 28 HN TRP 28 11.191 -3.478 -1.458 234 HA TRP 28 HA TRP 28 13.498 -4.920 -0.315 235 HB2 TRP 28 HB2 TRP 28 12.067 -3.688 1.523 236 HB3 TRP 28 HB1 TRP 28 10.912 -4.984 1.235 237 HD1 TRP 28 HD1 TRP 28 14.582 -4.453 2.243 238 HE1 TRP 28 HE1 TRP 28 15.352 -6.487 3.623 239 HE3 TRP 28 HE3 TRP 28 10.442 -7.414 1.842 240 HZ2 TRP 28 HZ2 TRP 28 14.346 -9.033 4.448 241 HZ3 TRP 28 HZ3 TRP 28 10.372 -9.635 2.932 242 HH2 TRP 28 HH2 TRP 28 12.319 -10.449 4.235 243 H GLU 29 HN GLU 29 13.480 -6.930 -1.096 244 HA GLU 29 HA GLU 29 11.046 -7.929 -2.479 245 HB2 GLU 29 HB2 GLU 29 12.738 -9.765 -3.209 246 HB3 GLU 29 HB1 GLU 29 12.902 -8.152 -3.893 247 HG2 GLU 29 HG2 GLU 29 14.383 -8.932 -1.376 248 HG3 GLU 29 HG1 GLU 29 15.041 -9.293 -2.971 249 H ASN 30 HN ASN 30 9.820 -9.557 -1.674 250 HA ASN 30 HA ASN 30 10.696 -10.785 0.905 251 HB2 ASN 30 HB2 ASN 30 8.437 -11.217 1.331 252 HB3 ASN 30 HB1 ASN 30 8.345 -9.719 0.406 253 HD21 ASN 30 HD21 ASN 30 6.690 -12.474 0.644 254 HD22 ASN 30 HD22 ASN 30 6.278 -12.762 -0.974 255 H THR 31 HN THR 31 10.298 -13.152 1.165 256 HA THR 31 HA THR 31 11.032 -14.618 -1.351 257 HB THR 31 HB THR 31 12.738 -15.130 0.130 258 HG1 THR 31 HG1 THR 31 12.104 -17.136 -0.153 259 HG21 THR 31 HG21 THR 31 10.661 -14.845 2.308 260 HG22 THR 31 HG22 THR 31 12.046 -13.799 1.992 261 HG23 THR 31 HG23 THR 31 12.297 -15.431 2.613 262 H HIS 32 HN HIS 32 8.346 -13.910 0.317 263 HA HIS 32 HA HIS 32 7.171 -16.641 0.272 264 HB2 HIS 32 HB2 HIS 32 6.042 -13.992 1.229 265 HB3 HIS 32 HB1 HIS 32 5.248 -15.554 1.388 266 HD1 HIS 32 HD1 HIS 32 6.689 -17.400 2.809 267 HD2 HIS 32 HD2 HIS 32 7.791 -13.410 3.299 268 HE1 HIS 32 HE1 HIS 32 8.074 -17.294 4.927 269 H GLU 33 HN GLU 33 5.622 -17.231 -1.187 270 HA GLU 33 HA GLU 33 5.422 -15.791 -3.686 271 HB2 GLU 33 HB2 GLU 33 3.907 -18.183 -2.602 272 HB3 GLU 33 HB1 GLU 33 3.718 -17.569 -4.245 273 HG2 GLU 33 HG2 GLU 33 6.099 -17.926 -4.687 274 HG3 GLU 33 HG1 GLU 33 6.349 -18.463 -3.026 275 H SER 34 HN SER 34 3.466 -15.881 -0.789 276 HA SER 34 HA SER 34 1.012 -14.892 -1.851 277 HB2 SER 34 HB2 SER 34 1.245 -15.704 0.475 278 HB3 SER 34 HB1 SER 34 2.293 -14.339 0.848 279 HG SER 34 HG SER 34 0.280 -13.177 -0.143 280 H ILE 35 HN ILE 35 3.868 -13.171 -0.577 281 HA ILE 35 HA ILE 35 2.797 -10.655 -1.801 282 HB ILE 35 HB ILE 35 4.845 -11.060 0.394 283 HG12 ILE 35 HG12 ILE 35 2.109 -9.754 0.486 284 HG13 ILE 35 HG11 ILE 35 2.391 -11.435 0.941 285 HG21 ILE 35 HG21 ILE 35 4.562 -8.514 0.540 286 HG22 ILE 35 HG22 ILE 35 3.815 -8.609 -1.054 287 HG23 ILE 35 HG23 ILE 35 5.489 -9.116 -0.834 288 HD11 ILE 35 HD11 ILE 35 3.958 -10.741 2.681 289 HD12 ILE 35 HD12 ILE 35 2.430 -9.889 2.903 290 HD13 ILE 35 HD13 ILE 35 3.807 -9.056 2.183 291 H SER 36 HN SER 36 4.033 -9.563 -3.257 292 HA SER 36 HA SER 36 6.306 -11.052 -4.439 293 HB2 SER 36 HB2 SER 36 5.896 -9.830 -6.386 294 HB3 SER 36 HB1 SER 36 4.284 -9.859 -5.676 295 HG SER 36 HG SER 36 4.404 -7.781 -5.527 296 H GLN 37 HN GLN 37 5.641 -7.643 -3.487 297 HA GLN 37 HA GLN 37 8.394 -7.456 -2.431 298 HB2 GLN 37 HB2 GLN 37 7.356 -5.785 -4.737 299 HB3 GLN 37 HB1 GLN 37 8.784 -5.363 -3.791 300 HG2 GLN 37 HG2 GLN 37 9.744 -7.613 -4.364 301 HG3 GLN 37 HG1 GLN 37 8.376 -7.876 -5.435 302 HE21 GLN 37 HE21 GLN 37 11.531 -6.678 -5.367 303 HE22 GLN 37 HE22 GLN 37 11.477 -5.757 -6.791 304 H VAL 38 HN VAL 38 8.726 -5.503 -1.195 305 HA VAL 38 HA VAL 38 6.341 -3.850 -0.581 306 HB VAL 38 HB VAL 38 6.264 -5.796 0.988 307 HG11 VAL 38 HG11 VAL 38 8.811 -4.656 2.140 308 HG12 VAL 38 HG12 VAL 38 8.809 -6.004 1.003 309 HG13 VAL 38 HG13 VAL 38 8.011 -6.167 2.568 310 HG21 VAL 38 HG21 VAL 38 5.318 -3.695 1.742 311 HG22 VAL 38 HG22 VAL 38 6.910 -3.072 2.165 312 HG23 VAL 38 HG23 VAL 38 6.209 -4.398 3.084 313 H GLY 39 HN GLY 39 6.930 -1.775 0.061 314 HA2 GLY 39 HA2 GLY 39 9.695 -1.234 0.919 315 HA3 GLY 39 HA1 GLY 39 9.279 -0.600 -0.673 316 H LEU 40 HN LEU 40 9.760 1.478 0.425 317 HA LEU 40 HA LEU 40 7.401 2.492 1.975 318 HB2 LEU 40 HB2 LEU 40 9.608 2.391 3.211 319 HB3 LEU 40 HB1 LEU 40 10.232 3.554 2.052 320 HG LEU 40 HG LEU 40 8.179 5.013 2.685 321 HD11 LEU 40 HD11 LEU 40 8.174 2.929 4.876 322 HD12 LEU 40 HD12 LEU 40 6.816 3.508 3.914 323 HD13 LEU 40 HD13 LEU 40 7.533 4.544 5.135 324 HD21 LEU 40 HD21 LEU 40 9.377 5.934 4.639 325 HD22 LEU 40 HD22 LEU 40 10.490 5.554 3.324 326 HD23 LEU 40 HD23 LEU 40 10.366 4.476 4.714 327 H LEU 41 HN LEU 41 6.499 4.439 1.322 328 HA LEU 41 HA LEU 41 7.542 5.559 -1.265 329 HB2 LEU 41 HB2 LEU 41 4.732 5.696 -0.158 330 HB3 LEU 41 HB1 LEU 41 5.270 6.207 -1.748 331 HG LEU 41 HG LEU 41 5.391 3.378 -0.702 332 HD11 LEU 41 HD11 LEU 41 3.520 4.780 -2.618 333 HD12 LEU 41 HD12 LEU 41 3.098 3.917 -1.141 334 HD13 LEU 41 HD13 LEU 41 3.671 3.024 -2.549 335 HD21 LEU 41 HD21 LEU 41 6.280 4.711 -3.256 336 HD22 LEU 41 HD22 LEU 41 5.794 3.015 -3.270 337 HD23 LEU 41 HD23 LEU 41 7.139 3.531 -2.263 338 H GLY 42 HN GLY 42 8.249 7.587 -1.230 339 HA2 GLY 42 HA2 GLY 42 7.974 9.172 1.249 340 HA3 GLY 42 HA1 GLY 42 9.065 9.520 -0.081 341 H ASP 43 HN ASP 43 5.914 10.085 1.240 342 HA ASP 43 HA ASP 43 5.076 11.604 -1.183 343 HB2 ASP 43 HB2 ASP 43 3.605 10.754 1.319 344 HB3 ASP 43 HB1 ASP 43 2.913 11.825 0.099 345 H GLU 44 HN GLU 44 4.358 13.793 -0.926 346 HA GLU 44 HA GLU 44 6.109 15.422 0.682 347 HB2 GLU 44 HB2 GLU 44 4.647 17.293 -0.168 348 HB3 GLU 44 HB1 GLU 44 5.301 16.259 -1.440 349 HG2 GLU 44 HG2 GLU 44 3.202 15.009 -1.554 350 HG3 GLU 44 HG1 GLU 44 2.543 15.952 -0.219 351 H THR 45 HN THR 45 3.085 13.907 1.301 352 HA THR 45 HA THR 45 2.449 15.766 3.547 353 HB THR 45 HB THR 45 0.417 14.161 3.716 354 HG1 THR 45 HG1 THR 45 0.274 13.438 1.270 355 HG21 THR 45 HG21 THR 45 -0.491 15.237 1.471 356 HG22 THR 45 HG22 THR 45 1.017 16.138 1.536 357 HG23 THR 45 HG23 THR 45 -0.132 16.255 2.867 358 H GLY 46 HN GLY 46 4.121 12.860 2.943 359 HA2 GLY 46 HA2 GLY 46 5.161 12.451 5.436 360 HA3 GLY 46 HA1 GLY 46 3.593 11.656 5.559 361 H ILE 47 HN ILE 47 4.427 9.557 5.704 362 HA ILE 47 HA ILE 47 5.591 8.477 3.166 363 HB ILE 47 HB ILE 47 6.944 6.919 4.657 364 HG12 ILE 47 HG12 ILE 47 7.475 8.012 6.928 365 HG13 ILE 47 HG11 ILE 47 6.020 8.966 6.704 366 HG21 ILE 47 HG21 ILE 47 7.473 9.873 4.484 367 HG22 ILE 47 HG22 ILE 47 8.121 8.575 3.484 368 HG23 ILE 47 HG23 ILE 47 8.654 8.747 5.153 369 HD11 ILE 47 HD11 ILE 47 5.668 6.039 6.270 370 HD12 ILE 47 HD12 ILE 47 4.644 7.196 7.107 371 HD13 ILE 47 HD13 ILE 47 6.052 6.529 7.910 372 H ILE 48 HN ILE 48 5.244 6.132 2.938 373 HA ILE 48 HA ILE 48 3.336 4.821 4.702 374 HB ILE 48 HB ILE 48 1.806 6.269 3.439 375 HG12 ILE 48 HG12 ILE 48 1.607 3.435 2.390 376 HG13 ILE 48 HG11 ILE 48 1.227 3.868 4.057 377 HG21 ILE 48 HG21 ILE 48 1.612 6.064 1.014 378 HG22 ILE 48 HG22 ILE 48 2.889 4.852 0.989 379 HG23 ILE 48 HG23 ILE 48 3.262 6.518 1.434 380 HD11 ILE 48 HD11 ILE 48 -0.830 3.883 2.755 381 HD12 ILE 48 HD12 ILE 48 -0.103 4.961 1.563 382 HD13 ILE 48 HD13 ILE 48 -0.421 5.541 3.198 383 H LYS 49 HN LYS 49 3.300 2.613 4.355 384 HA LYS 49 HA LYS 49 5.318 1.575 2.431 385 HB2 LYS 49 HB2 LYS 49 3.914 0.335 4.796 386 HB3 LYS 49 HB1 LYS 49 5.023 -0.551 3.749 387 HG2 LYS 49 HG2 LYS 49 6.771 1.178 4.250 388 HG3 LYS 49 HG1 LYS 49 5.667 1.895 5.420 389 HD2 LYS 49 HD2 LYS 49 6.531 -1.009 5.508 390 HD3 LYS 49 HD1 LYS 49 7.349 0.271 6.406 391 HE2 LYS 49 HE2 LYS 49 5.031 0.839 7.376 392 HE3 LYS 49 HE1 LYS 49 4.515 -0.719 6.736 393 HZ1 LYS 49 HZ1 LYS 49 5.747 -0.284 9.128 394 HZ2 LYS 49 HZ2 LYS 49 6.982 -0.911 8.144 395 HZ3 LYS 49 HZ3 LYS 49 5.540 -1.784 8.362 396 H PHE 50 HN PHE 50 4.808 -0.087 0.903 397 HA PHE 50 HA PHE 50 1.924 -0.789 0.645 398 HB2 PHE 50 HB2 PHE 50 1.897 -0.255 -1.679 399 HB3 PHE 50 HB1 PHE 50 2.526 1.166 -0.855 400 HD1 PHE 50 HD2 PHE 50 5.221 1.086 -0.501 401 HD2 PHE 50 HD1 PHE 50 3.037 -0.948 -3.592 402 HE1 PHE 50 HE2 PHE 50 7.267 1.003 -1.894 403 HE2 PHE 50 HE1 PHE 50 5.082 -1.030 -4.979 404 HZ PHE 50 HZ PHE 50 7.199 -0.057 -4.135 405 H THR 51 HN THR 51 1.612 -2.692 -0.726 406 HA THR 51 HA THR 51 4.061 -4.397 -1.010 407 HB THR 51 HB THR 51 2.961 -5.058 1.068 408 HG1 THR 51 HG1 THR 51 2.332 -6.830 -1.054 409 HG21 THR 51 HG21 THR 51 0.711 -4.106 0.389 410 HG22 THR 51 HG22 THR 51 0.646 -5.683 1.174 411 HG23 THR 51 HG23 THR 51 0.473 -5.561 -0.577 412 H ILE 52 HN ILE 52 4.154 -5.445 -2.899 413 HA ILE 52 HA ILE 52 1.796 -5.285 -4.733 414 HB ILE 52 HB ILE 52 4.712 -5.845 -5.320 415 HG12 ILE 52 HG12 ILE 52 3.069 -3.397 -5.991 416 HG13 ILE 52 HG11 ILE 52 4.070 -3.503 -4.546 417 HG21 ILE 52 HG21 ILE 52 3.884 -5.377 -7.694 418 HG22 ILE 52 HG22 ILE 52 2.251 -5.570 -7.056 419 HG23 ILE 52 HG23 ILE 52 3.386 -6.919 -6.995 420 HD11 ILE 52 HD11 ILE 52 5.042 -2.487 -6.794 421 HD12 ILE 52 HD12 ILE 52 5.305 -4.180 -7.199 422 HD13 ILE 52 HD13 ILE 52 6.049 -3.492 -5.754 423 H TRP 53 HN TRP 53 0.705 -7.109 -5.247 424 HA TRP 53 HA TRP 53 1.605 -9.671 -4.125 425 HB2 TRP 53 HB2 TRP 53 -0.897 -8.812 -5.605 426 HB3 TRP 53 HB1 TRP 53 -0.622 -10.452 -5.013 427 HD1 TRP 53 HD1 TRP 53 -0.956 -6.842 -3.720 428 HE1 TRP 53 HE1 TRP 53 -1.709 -6.931 -1.256 429 HE3 TRP 53 HE3 TRP 53 -0.796 -11.882 -2.933 430 HZ2 TRP 53 HZ2 TRP 53 -2.182 -8.886 0.781 431 HZ3 TRP 53 HZ3 TRP 53 -1.402 -12.832 -0.727 432 HH2 TRP 53 HH2 TRP 53 -2.094 -11.341 1.130 433 H LYS 54 HN LYS 54 2.264 -11.427 -5.301 434 HA LYS 54 HA LYS 54 3.523 -11.126 -7.804 435 HB2 LYS 54 HB2 LYS 54 2.462 -13.500 -6.275 436 HB3 LYS 54 HB1 LYS 54 3.162 -13.733 -7.874 437 HG2 LYS 54 HG2 LYS 54 4.675 -12.148 -5.802 438 HG3 LYS 54 HG1 LYS 54 4.702 -13.905 -5.744 439 HD2 LYS 54 HD2 LYS 54 5.480 -13.962 -8.099 440 HD3 LYS 54 HD1 LYS 54 5.502 -12.203 -8.127 441 HE2 LYS 54 HE2 LYS 54 7.151 -12.170 -6.312 442 HE3 LYS 54 HE1 LYS 54 7.117 -13.931 -6.241 443 HZ1 LYS 54 HZ1 LYS 54 8.821 -13.732 -7.669 444 HZ2 LYS 54 HZ2 LYS 54 8.372 -12.176 -8.179 445 HZ3 LYS 54 HZ3 LYS 54 7.598 -13.542 -8.828 446 H ASN 55 HN ASN 55 0.186 -11.642 -7.033 447 HA ASN 55 HA ASN 55 -0.625 -12.686 -9.608 448 HB2 ASN 55 HB2 ASN 55 -2.129 -11.357 -7.343 449 HB3 ASN 55 HB1 ASN 55 -2.928 -11.946 -8.800 450 HD21 ASN 55 HD21 ASN 55 -3.475 -13.074 -6.212 451 HD22 ASN 55 HD22 ASN 55 -2.903 -14.673 -6.198 452 H ALA 56 HN ALA 56 0.492 -9.645 -8.682 453 HA ALA 56 HA ALA 56 -1.214 -8.112 -10.538 454 HB1 ALA 56 HB1 ALA 56 1.308 -7.015 -9.307 455 HB2 ALA 56 HB2 ALA 56 -0.076 -7.335 -8.267 456 HB3 ALA 56 HB3 ALA 56 -0.234 -6.207 -9.610 457 H GLU 57 HN GLU 57 2.028 -9.475 -10.377 458 HA GLU 57 HA GLU 57 3.709 -9.697 -11.987 459 HB2 GLU 57 HB2 GLU 57 1.257 -9.606 -13.765 460 HB3 GLU 57 HB1 GLU 57 2.873 -10.023 -14.337 461 HG2 GLU 57 HG2 GLU 57 2.982 -11.899 -12.772 462 HG3 GLU 57 HG1 GLU 57 1.409 -11.461 -12.105 463 H LEU 58 HN LEU 58 3.715 -7.194 -11.064 464 HA LEU 58 HA LEU 58 3.732 -5.383 -13.439 465 HB2 LEU 58 HB2 LEU 58 3.320 -4.995 -10.524 466 HB3 LEU 58 HB1 LEU 58 4.166 -3.701 -11.367 467 HG LEU 58 HG LEU 58 2.331 -3.562 -13.006 468 HD11 LEU 58 HD11 LEU 58 1.466 -5.771 -13.092 469 HD12 LEU 58 HD12 LEU 58 0.186 -4.824 -12.339 470 HD13 LEU 58 HD13 LEU 58 1.241 -5.828 -11.348 471 HD21 LEU 58 HD21 LEU 58 0.519 -2.863 -11.312 472 HD22 LEU 58 HD22 LEU 58 2.084 -2.071 -11.190 473 HD23 LEU 58 HD23 LEU 58 1.665 -3.365 -10.072 474 HA PRO 59 HA PRO 59 8.137 -5.318 -13.531 475 HB2 PRO 59 HB2 PRO 59 8.623 -2.652 -14.130 476 HB3 PRO 59 HB1 PRO 59 8.097 -3.864 -15.312 477 HG2 PRO 59 HG2 PRO 59 6.491 -1.801 -13.877 478 HG3 PRO 59 HG1 PRO 59 6.360 -2.377 -15.549 479 HD2 PRO 59 HD2 PRO 59 4.651 -3.188 -13.586 480 HD3 PRO 59 HD1 PRO 59 5.094 -4.229 -14.955 481 H LEU 60 HN LEU 60 10.033 -4.611 -12.396 482 HA LEU 60 HA LEU 60 9.581 -3.981 -9.626 483 HB2 LEU 60 HB2 LEU 60 12.194 -3.863 -11.160 484 HB3 LEU 60 HB1 LEU 60 11.992 -4.065 -9.420 485 HG LEU 60 HG LEU 60 10.996 -6.015 -11.517 486 HD11 LEU 60 HD11 LEU 60 13.384 -6.163 -11.462 487 HD12 LEU 60 HD12 LEU 60 12.793 -7.479 -10.447 488 HD13 LEU 60 HD13 LEU 60 13.421 -6.006 -9.705 489 HD21 LEU 60 HD21 LEU 60 10.847 -7.455 -9.340 490 HD22 LEU 60 HD22 LEU 60 9.579 -6.279 -9.653 491 HD23 LEU 60 HD23 LEU 60 10.863 -5.905 -8.502 492 H LEU 61 HN LEU 61 9.813 -2.099 -8.525 493 HA LEU 61 HA LEU 61 9.768 0.395 -10.063 494 HB2 LEU 61 HB2 LEU 61 9.428 -0.340 -7.159 495 HB3 LEU 61 HB1 LEU 61 9.608 1.345 -7.643 496 HG LEU 61 HG LEU 61 7.697 1.102 -9.194 497 HD11 LEU 61 HD11 LEU 61 6.282 -1.022 -8.809 498 HD12 LEU 61 HD12 LEU 61 7.744 -1.720 -8.114 499 HD13 LEU 61 HD13 LEU 61 7.732 -1.191 -9.797 500 HD21 LEU 61 HD21 LEU 61 6.908 0.078 -6.459 501 HD22 LEU 61 HD22 LEU 61 5.998 1.155 -7.518 502 HD23 LEU 61 HD23 LEU 61 7.459 1.734 -6.718 503 H GLU 62 HN GLU 62 11.259 2.130 -9.759 504 HA GLU 62 HA GLU 62 13.994 1.210 -8.969 505 HB2 GLU 62 HB2 GLU 62 13.666 2.045 -11.288 506 HB3 GLU 62 HB1 GLU 62 13.175 3.607 -10.628 507 HG2 GLU 62 HG2 GLU 62 15.346 3.859 -9.527 508 HG3 GLU 62 HG1 GLU 62 15.840 2.263 -10.093 509 H GLN 63 HN GLN 63 15.004 2.118 -7.285 510 HA GLN 63 HA GLN 63 13.596 3.812 -5.444 511 HB2 GLN 63 HB2 GLN 63 16.506 2.998 -5.615 512 HB3 GLN 63 HB1 GLN 63 15.824 3.915 -4.268 513 HG2 GLN 63 HG2 GLN 63 14.244 2.126 -3.793 514 HG3 GLN 63 HG1 GLN 63 14.792 1.222 -5.202 515 HE21 GLN 63 HE21 GLN 63 17.391 0.921 -5.109 516 HE22 GLN 63 HE22 GLN 63 17.985 0.406 -3.606 517 H GLY 64 HN GLY 64 13.697 5.986 -5.095 518 HA2 GLY 64 HA2 GLY 64 14.452 8.207 -5.313 519 HA3 GLY 64 HA1 GLY 64 15.707 7.655 -6.423 520 H GLU 65 HN GLU 65 13.171 6.147 -7.666 521 HA GLU 65 HA GLU 65 12.681 8.319 -9.619 522 HB2 GLU 65 HB2 GLU 65 13.316 5.963 -10.311 523 HB3 GLU 65 HB1 GLU 65 11.726 5.454 -9.748 524 HG2 GLU 65 HG2 GLU 65 11.520 5.886 -12.104 525 HG3 GLU 65 HG1 GLU 65 10.733 7.219 -11.274 526 H SER 66 HN SER 66 10.610 8.989 -10.204 527 HA SER 66 HA SER 66 8.591 8.822 -8.048 528 HB2 SER 66 HB2 SER 66 7.400 10.512 -9.541 529 HB3 SER 66 HB1 SER 66 8.938 11.029 -8.860 530 HG SER 66 HG SER 66 9.707 11.140 -10.808 531 H TYR 67 HN TYR 67 6.480 8.018 -8.376 532 HA TYR 67 HA TYR 67 5.904 6.687 -10.983 533 HB2 TYR 67 HB2 TYR 67 5.949 5.344 -8.270 534 HB3 TYR 67 HB1 TYR 67 5.073 4.677 -9.647 535 HD1 TYR 67 HD1 TYR 67 6.429 4.452 -11.878 536 HD2 TYR 67 HD2 TYR 67 8.215 4.808 -7.997 537 HE1 TYR 67 HE1 TYR 67 8.530 3.471 -12.757 538 HE2 TYR 67 HE2 TYR 67 10.314 3.821 -8.863 539 HH TYR 67 HH TYR 67 10.876 3.389 -12.234 540 H LEU 68 HN LEU 68 3.718 6.322 -11.337 541 HA LEU 68 HA LEU 68 1.879 7.950 -9.611 542 HB2 LEU 68 HB2 LEU 68 2.060 8.660 -11.975 543 HB3 LEU 68 HB1 LEU 68 1.545 7.064 -12.484 544 HG LEU 68 HG LEU 68 -0.568 7.423 -11.129 545 HD11 LEU 68 HD11 LEU 68 -0.054 9.150 -9.623 546 HD12 LEU 68 HD12 LEU 68 -1.057 9.948 -10.827 547 HD13 LEU 68 HD13 LEU 68 0.694 10.143 -10.873 548 HD21 LEU 68 HD21 LEU 68 0.054 9.301 -13.418 549 HD22 LEU 68 HD22 LEU 68 -1.573 8.949 -12.835 550 HD23 LEU 68 HD23 LEU 68 -0.596 7.666 -13.551 551 H LEU 69 HN LEU 69 0.205 6.925 -8.572 552 HA LEU 69 HA LEU 69 -0.119 3.987 -9.081 553 HB2 LEU 69 HB2 LEU 69 -0.856 5.557 -6.597 554 HB3 LEU 69 HB1 LEU 69 -0.806 3.808 -6.786 555 HG LEU 69 HG LEU 69 1.591 5.642 -7.031 556 HD11 LEU 69 HD11 LEU 69 0.620 5.367 -4.707 557 HD12 LEU 69 HD12 LEU 69 2.280 4.798 -4.884 558 HD13 LEU 69 HD13 LEU 69 0.951 3.640 -4.849 559 HD21 LEU 69 HD21 LEU 69 2.736 3.302 -6.814 560 HD22 LEU 69 HD22 LEU 69 2.063 3.763 -8.371 561 HD23 LEU 69 HD23 LEU 69 1.171 2.664 -7.316 562 H ARG 70 HN ARG 70 -1.829 3.702 -10.390 563 HA ARG 70 HA ARG 70 -4.293 5.333 -9.880 564 HB2 ARG 70 HB2 ARG 70 -3.249 4.009 -12.376 565 HB3 ARG 70 HB1 ARG 70 -4.892 4.627 -12.233 566 HG2 ARG 70 HG2 ARG 70 -4.048 6.869 -11.777 567 HG3 ARG 70 HG1 ARG 70 -2.396 6.268 -11.785 568 HD2 ARG 70 HD2 ARG 70 -2.917 7.307 -13.947 569 HD3 ARG 70 HD1 ARG 70 -2.662 5.575 -14.147 570 HE ARG 70 HE ARG 70 -5.450 6.098 -13.696 571 HH11 ARG 70 HH21 ARG 70 -2.917 6.412 -16.027 572 HH12 ARG 70 HH22 ARG 70 -3.987 6.330 -17.386 573 HH21 ARG 70 HH11 ARG 70 -6.846 5.989 -15.459 574 HH22 ARG 70 HH12 ARG 70 -6.207 6.090 -17.065 575 H SER 71 HN SER 71 -6.213 4.319 -9.586 576 HA SER 71 HA SER 71 -7.686 2.639 -8.969 577 HB2 SER 71 HB2 SER 71 -7.777 1.890 -11.179 578 HB3 SER 71 HB1 SER 71 -6.097 1.369 -11.182 579 HG SER 71 HG SER 71 -8.365 0.055 -10.372 580 H VAL 72 HN VAL 72 -6.026 2.912 -6.971 581 HA VAL 72 HA VAL 72 -5.032 0.145 -6.319 582 HB VAL 72 HB VAL 72 -3.591 1.266 -4.635 583 HG11 VAL 72 HG11 VAL 72 -3.108 2.491 -7.353 584 HG12 VAL 72 HG12 VAL 72 -2.941 0.756 -7.089 585 HG13 VAL 72 HG13 VAL 72 -1.929 1.878 -6.196 586 HG21 VAL 72 HG21 VAL 72 -5.085 3.340 -4.515 587 HG22 VAL 72 HG22 VAL 72 -4.347 3.842 -6.034 588 HG23 VAL 72 HG23 VAL 72 -3.351 3.646 -4.590 589 H VAL 73 HN VAL 73 -5.253 -0.443 -4.017 590 HA VAL 73 HA VAL 73 -7.706 0.776 -2.776 591 HB VAL 73 HB VAL 73 -8.220 -1.394 -3.852 592 HG11 VAL 73 HG11 VAL 73 -5.835 -2.276 -3.455 593 HG12 VAL 73 HG12 VAL 73 -7.158 -3.415 -3.213 594 HG13 VAL 73 HG13 VAL 73 -6.377 -2.664 -1.822 595 HG21 VAL 73 HG21 VAL 73 -8.183 -1.640 -0.833 596 HG22 VAL 73 HG22 VAL 73 -9.341 -2.359 -1.952 597 HG23 VAL 73 HG23 VAL 73 -9.317 -0.613 -1.711 598 H VAL 74 HN VAL 74 -7.810 0.632 -0.485 599 HA VAL 74 HA VAL 74 -5.120 0.674 0.784 600 HB VAL 74 HB VAL 74 -7.829 1.555 1.817 601 HG11 VAL 74 HG11 VAL 74 -5.028 1.856 2.939 602 HG12 VAL 74 HG12 VAL 74 -6.352 0.940 3.658 603 HG13 VAL 74 HG13 VAL 74 -6.448 2.694 3.562 604 HG21 VAL 74 HG21 VAL 74 -6.826 2.840 -0.126 605 HG22 VAL 74 HG22 VAL 74 -5.458 3.217 0.922 606 HG23 VAL 74 HG23 VAL 74 -7.073 3.793 1.336 607 H GLY 75 HN GLY 75 -4.452 -0.918 2.118 608 HA2 GLY 75 HA2 GLY 75 -6.359 -3.100 2.790 609 HA3 GLY 75 HA1 GLY 75 -4.604 -3.231 2.783 610 H GLU 76 HN GLU 76 -6.508 -3.881 4.926 611 HA GLU 76 HA GLU 76 -5.979 -1.832 6.996 612 HB2 GLU 76 HB2 GLU 76 -8.204 -2.946 6.842 613 HB3 GLU 76 HB1 GLU 76 -7.429 -4.488 7.211 614 HG2 GLU 76 HG2 GLU 76 -6.659 -3.624 9.365 615 HG3 GLU 76 HG1 GLU 76 -7.338 -2.039 8.996 616 H TYR 77 HN TYR 77 -3.771 -1.978 7.421 617 HA TYR 77 HA TYR 77 -2.634 -4.640 8.117 618 HB2 TYR 77 HB2 TYR 77 -1.481 -2.849 6.628 619 HB3 TYR 77 HB1 TYR 77 -1.149 -2.013 8.137 620 HD1 TYR 77 HD2 TYR 77 -0.976 -5.504 6.758 621 HD2 TYR 77 HD1 TYR 77 0.892 -2.477 9.171 622 HE1 TYR 77 HE2 TYR 77 0.949 -7.009 7.157 623 HE2 TYR 77 HE1 TYR 77 2.818 -3.982 9.564 624 HH TYR 77 HH TYR 77 3.076 -7.107 7.922 625 H ASN 78 HN ASN 78 -3.374 -5.143 10.118 626 HA ASN 78 HA ASN 78 -3.933 -4.895 12.393 627 HB2 ASN 78 HB2 ASN 78 -1.773 -4.069 13.659 628 HB3 ASN 78 HB1 ASN 78 -1.736 -5.582 12.772 629 HD21 ASN 78 HD21 ASN 78 -0.120 -2.604 13.092 630 HD22 ASN 78 HD22 ASN 78 0.756 -2.650 11.643 631 H ASP 79 HN ASP 79 -1.853 -2.358 13.180 632 HA ASP 79 HA ASP 79 -4.150 -0.538 13.615 633 HB2 ASP 79 HB2 ASP 79 -1.301 -0.558 14.653 634 HB3 ASP 79 HB1 ASP 79 -2.442 0.750 14.973 635 H ARG 80 HN ARG 80 -1.373 -0.909 11.569 636 HA ARG 80 HA ARG 80 -1.493 1.952 10.739 637 HB2 ARG 80 HB2 ARG 80 0.717 0.883 11.194 638 HB3 ARG 80 HB1 ARG 80 0.414 -0.219 9.850 639 HG2 ARG 80 HG2 ARG 80 0.364 1.582 8.266 640 HG3 ARG 80 HG1 ARG 80 0.349 2.793 9.551 641 HD2 ARG 80 HD2 ARG 80 2.601 2.123 10.229 642 HD3 ARG 80 HD1 ARG 80 2.607 0.837 9.024 643 HE ARG 80 HE ARG 80 2.106 3.185 7.589 644 HH11 ARG 80 HH21 ARG 80 4.531 1.974 9.737 645 HH12 ARG 80 HH22 ARG 80 5.817 2.853 8.980 646 HH21 ARG 80 HH11 ARG 80 3.773 4.326 6.601 647 HH22 ARG 80 HH12 ARG 80 5.389 4.182 7.208 648 H PHE 81 HN PHE 81 -1.494 2.418 8.412 649 HA PHE 81 HA PHE 81 -3.369 0.602 6.964 650 HB2 PHE 81 HB2 PHE 81 -2.651 3.522 6.628 651 HB3 PHE 81 HB1 PHE 81 -3.639 2.632 5.467 652 HD1 PHE 81 HD1 PHE 81 -5.855 1.734 6.122 653 HD2 PHE 81 HD2 PHE 81 -3.498 4.108 8.817 654 HE1 PHE 81 HE1 PHE 81 -7.845 2.076 7.564 655 HE2 PHE 81 HE2 PHE 81 -5.487 4.449 10.257 656 HZ PHE 81 HZ PHE 81 -7.661 3.433 9.630 657 H GLN 82 HN GLN 82 -2.898 -0.030 4.795 658 HA GLN 82 HA GLN 82 -0.172 0.580 3.764 659 HB2 GLN 82 HB2 GLN 82 -0.030 -1.518 5.131 660 HB3 GLN 82 HB1 GLN 82 -1.232 -2.253 4.072 661 HG2 GLN 82 HG2 GLN 82 0.293 -1.837 2.126 662 HG3 GLN 82 HG1 GLN 82 1.503 -1.220 3.248 663 HE21 GLN 82 HE21 GLN 82 3.009 -2.773 3.885 664 HE22 GLN 82 HE22 GLN 82 2.722 -4.445 3.944 665 H VAL 83 HN VAL 83 -0.003 0.375 1.518 666 HA VAL 83 HA VAL 83 -2.621 0.264 0.092 667 HB VAL 83 HB VAL 83 0.073 1.077 -1.026 668 HG11 VAL 83 HG11 VAL 83 -2.786 1.607 -1.866 669 HG12 VAL 83 HG12 VAL 83 -1.654 0.521 -2.672 670 HG13 VAL 83 HG13 VAL 83 -1.356 2.259 -2.665 671 HG21 VAL 83 HG21 VAL 83 -2.068 2.746 0.330 672 HG22 VAL 83 HG22 VAL 83 -0.752 3.420 -0.632 673 HG23 VAL 83 HG23 VAL 83 -0.397 2.545 0.857 674 H GLN 84 HN GLN 84 -3.153 -1.531 -1.015 675 HA GLN 84 HA GLN 84 -1.008 -3.540 -1.602 676 HB2 GLN 84 HB2 GLN 84 -4.017 -3.820 -1.364 677 HB3 GLN 84 HB1 GLN 84 -2.929 -5.122 -1.846 678 HG2 GLN 84 HG2 GLN 84 -1.726 -4.939 0.285 679 HG3 GLN 84 HG1 GLN 84 -2.762 -3.597 0.769 680 HE21 GLN 84 HE21 GLN 84 -3.079 -5.403 2.605 681 HE22 GLN 84 HE22 GLN 84 -4.404 -6.436 2.364 682 H VAL 85 HN VAL 85 -0.387 -3.746 -3.660 683 HA VAL 85 HA VAL 85 -2.080 -2.565 -5.814 684 HB VAL 85 HB VAL 85 0.767 -3.556 -5.996 685 HG11 VAL 85 HG11 VAL 85 0.819 -2.243 -8.029 686 HG12 VAL 85 HG12 VAL 85 -0.784 -1.594 -7.697 687 HG13 VAL 85 HG13 VAL 85 -0.592 -3.298 -8.101 688 HG21 VAL 85 HG21 VAL 85 -0.328 -0.792 -5.388 689 HG22 VAL 85 HG22 VAL 85 1.349 -1.117 -5.823 690 HG23 VAL 85 HG23 VAL 85 0.683 -1.777 -4.330 691 H ASN 86 HN ASN 86 -3.031 -3.863 -7.336 692 HA ASN 86 HA ASN 86 -2.273 -6.761 -7.395 693 HB2 ASN 86 HB2 ASN 86 -5.067 -5.577 -7.351 694 HB3 ASN 86 HB1 ASN 86 -4.695 -7.272 -7.662 695 HD21 ASN 86 HD21 ASN 86 -5.708 -5.287 -5.217 696 HD22 ASN 86 HD22 ASN 86 -5.084 -6.130 -3.883 697 H LYS 87 HN LYS 87 -3.985 -7.584 -9.324 698 HA LYS 87 HA LYS 87 -2.734 -6.721 -11.747 699 HB2 LYS 87 HB2 LYS 87 -3.798 -8.956 -11.385 700 HB3 LYS 87 HB1 LYS 87 -5.376 -8.170 -11.410 701 HG2 LYS 87 HG2 LYS 87 -4.982 -7.378 -13.693 702 HG3 LYS 87 HG1 LYS 87 -3.366 -8.085 -13.678 703 HD2 LYS 87 HD2 LYS 87 -4.349 -10.332 -13.373 704 HD3 LYS 87 HD1 LYS 87 -5.967 -9.627 -13.402 705 HE2 LYS 87 HE2 LYS 87 -5.560 -8.783 -15.686 706 HE3 LYS 87 HE1 LYS 87 -3.942 -9.482 -15.659 707 HZ1 LYS 87 HZ1 LYS 87 -5.305 -11.028 -16.758 708 HZ2 LYS 87 HZ2 LYS 87 -6.542 -10.899 -15.601 709 HZ3 LYS 87 HZ3 LYS 87 -5.079 -11.665 -15.202 710 H ASN 88 HN ASN 88 -5.895 -5.937 -10.303 711 HA ASN 88 HA ASN 88 -6.855 -4.357 -12.494 712 HB2 ASN 88 HB2 ASN 88 -8.305 -5.206 -10.663 713 HB3 ASN 88 HB1 ASN 88 -7.509 -4.102 -9.543 714 HD21 ASN 88 HD21 ASN 88 -9.281 -2.685 -9.133 715 HD22 ASN 88 HD22 ASN 88 -10.021 -1.745 -10.338 716 H SER 89 HN SER 89 -4.551 -3.713 -9.980 717 HA SER 89 HA SER 89 -4.737 -0.801 -10.214 718 HB2 SER 89 HB2 SER 89 -2.683 -2.582 -8.882 719 HB3 SER 89 HB1 SER 89 -2.686 -0.823 -8.795 720 HG SER 89 HG SER 89 -4.310 -2.682 -7.557 721 H SER 90 HN SER 90 -2.807 0.501 -10.872 722 HA SER 90 HA SER 90 -1.079 -0.815 -12.907 723 HB2 SER 90 HB2 SER 90 -1.717 0.606 -14.653 724 HB3 SER 90 HB1 SER 90 -3.259 0.257 -13.874 725 HG SER 90 HG SER 90 -2.887 2.217 -12.643 726 H ILE 91 HN ILE 91 0.730 0.632 -13.570 727 HA ILE 91 HA ILE 91 1.297 2.838 -11.670 728 HB ILE 91 HB ILE 91 3.137 0.485 -12.171 729 HG12 ILE 91 HG12 ILE 91 1.789 1.471 -9.633 730 HG13 ILE 91 HG11 ILE 91 1.294 0.053 -10.553 731 HG21 ILE 91 HG21 ILE 91 4.586 1.700 -10.491 732 HG22 ILE 91 HG22 ILE 91 3.502 3.079 -10.648 733 HG23 ILE 91 HG23 ILE 91 4.436 2.523 -12.035 734 HD11 ILE 91 HD11 ILE 91 3.813 0.463 -8.970 735 HD12 ILE 91 HD12 ILE 91 3.750 -0.739 -10.257 736 HD13 ILE 91 HD13 ILE 91 2.658 -0.864 -8.878 737 H GLU 92 HN GLU 92 2.287 4.521 -12.686 738 HA GLU 92 HA GLU 92 3.606 4.006 -15.329 739 HB2 GLU 92 HB2 GLU 92 1.773 6.329 -14.654 740 HB3 GLU 92 HB1 GLU 92 2.630 6.100 -16.173 741 HG2 GLU 92 HG2 GLU 92 0.622 4.128 -15.055 742 HG3 GLU 92 HG1 GLU 92 0.227 5.368 -16.243 743 H LYS 93 HN LYS 93 5.532 4.989 -15.555 744 HA LYS 93 HA LYS 93 6.781 6.267 -13.278 745 HB2 LYS 93 HB2 LYS 93 7.993 4.881 -14.956 746 HB3 LYS 93 HB1 LYS 93 7.734 6.147 -16.154 747 HG2 LYS 93 HG2 LYS 93 8.932 7.750 -14.660 748 HG3 LYS 93 HG1 LYS 93 9.261 6.427 -13.549 749 HD2 LYS 93 HD2 LYS 93 10.068 6.342 -16.466 750 HD3 LYS 93 HD1 LYS 93 11.129 6.979 -15.210 751 HE2 LYS 93 HE2 LYS 93 10.741 4.732 -13.993 752 HE3 LYS 93 HE1 LYS 93 10.093 4.160 -15.528 753 HZ1 LYS 93 HZ1 LYS 93 12.238 5.031 -16.520 754 HZ2 LYS 93 HZ2 LYS 93 12.332 3.613 -15.589 755 HZ3 LYS 93 HZ3 LYS 93 12.823 5.100 -14.930 756 H LEU 94 HN LEU 94 7.053 8.419 -12.862 757 HA LEU 94 HA LEU 94 5.573 10.328 -14.584 758 HB2 LEU 94 HB2 LEU 94 6.831 10.586 -11.839 759 HB3 LEU 94 HB1 LEU 94 6.004 11.899 -12.669 760 HG LEU 94 HG LEU 94 4.736 9.208 -12.063 761 HD11 LEU 94 HD11 LEU 94 4.665 11.841 -10.572 762 HD12 LEU 94 HD12 LEU 94 5.114 10.256 -9.944 763 HD13 LEU 94 HD13 LEU 94 3.435 10.595 -10.360 764 HD21 LEU 94 HD21 LEU 94 2.663 10.886 -12.405 765 HD22 LEU 94 HD22 LEU 94 3.421 10.067 -13.763 766 HD23 LEU 94 HD23 LEU 94 3.834 11.742 -13.404 767 H SER 95 HN SER 95 6.548 11.887 -15.774 768 HA SER 95 HA SER 95 9.396 11.687 -16.308 769 HB2 SER 95 HB2 SER 95 7.728 12.267 -18.052 770 HB3 SER 95 HB1 SER 95 7.364 13.760 -17.193 771 HG SER 95 HG SER 95 9.809 14.016 -17.385 772 H GLU 96 HN GLU 96 7.600 13.276 -13.934 773 HA GLU 96 HA GLU 96 9.760 15.282 -13.543 774 HB2 GLU 96 HB2 GLU 96 8.147 16.698 -12.404 775 HB3 GLU 96 HB1 GLU 96 7.596 16.305 -14.031 776 HG2 GLU 96 HG2 GLU 96 5.662 15.860 -12.807 777 HG3 GLU 96 HG1 GLU 96 6.410 14.265 -12.823 778 HA PRO 97 HA PRO 97 10.425 13.022 -9.729 779 HB2 PRO 97 HB2 PRO 97 12.214 14.711 -8.552 780 HB3 PRO 97 HB1 PRO 97 12.638 13.678 -9.930 781 HG2 PRO 97 HG2 PRO 97 11.984 16.591 -9.880 782 HG3 PRO 97 HG1 PRO 97 13.196 15.719 -10.838 783 HD2 PRO 97 HD2 PRO 97 10.740 16.516 -11.822 784 HD3 PRO 97 HD1 PRO 97 11.700 15.159 -12.476 785 H ILE 98 HN ILE 98 10.033 13.245 -7.412 786 HA ILE 98 HA ILE 98 8.159 15.498 -6.765 787 HB ILE 98 HB ILE 98 8.360 12.722 -5.573 788 HG12 ILE 98 HG12 ILE 98 6.173 13.957 -7.272 789 HG13 ILE 98 HG11 ILE 98 7.451 12.936 -7.933 790 HG21 ILE 98 HG21 ILE 98 6.573 15.103 -5.022 791 HG22 ILE 98 HG22 ILE 98 7.581 14.218 -3.875 792 HG23 ILE 98 HG23 ILE 98 6.138 13.461 -4.549 793 HD11 ILE 98 HD11 ILE 98 5.384 12.156 -5.860 794 HD12 ILE 98 HD12 ILE 98 6.767 11.149 -6.292 795 HD13 ILE 98 HD13 ILE 98 5.538 11.526 -7.500 796 H GLU 99 HN GLU 99 8.720 16.863 -5.147 797 HA GLU 99 HA GLU 99 11.227 16.264 -3.643 798 HB2 GLU 99 HB2 GLU 99 9.738 18.851 -4.164 799 HB3 GLU 99 HB1 GLU 99 11.136 18.720 -3.098 800 HG2 GLU 99 HG2 GLU 99 12.519 17.916 -4.958 801 HG3 GLU 99 HG1 GLU 99 11.122 17.944 -6.035 802 H VAL 100 HN VAL 100 11.061 15.642 -1.602 803 HA VAL 100 HA VAL 100 8.520 16.151 -0.097 804 HB VAL 100 HB VAL 100 10.717 14.088 0.300 805 HG11 VAL 100 HG11 VAL 100 9.105 13.170 2.008 806 HG12 VAL 100 HG12 VAL 100 8.171 14.657 1.845 807 HG13 VAL 100 HG13 VAL 100 9.823 14.716 2.459 808 HG21 VAL 100 HG21 VAL 100 9.181 13.688 -1.624 809 HG22 VAL 100 HG22 VAL 100 7.809 13.793 -0.523 810 HG23 VAL 100 HG23 VAL 100 8.978 12.485 -0.352 811 H GLY 101 HN GLY 101 11.826 16.973 -0.373 812 HA2 GLY 101 HA2 GLY 101 12.091 19.128 1.167 813 HA3 GLY 101 HA1 GLY 101 12.047 17.906 2.440 814 H LEU 102 HN LEU 102 13.799 18.851 -0.499 815 HA LEU 102 HA LEU 102 15.956 17.014 -0.215 816 HB2 LEU 102 HB2 LEU 102 15.553 18.227 -2.309 817 HB3 LEU 102 HB1 LEU 102 15.887 19.765 -1.512 818 HG LEU 102 HG LEU 102 18.200 19.045 -1.066 819 HD11 LEU 102 HD11 LEU 102 17.145 16.460 -2.183 820 HD12 LEU 102 HD12 LEU 102 18.192 16.733 -0.788 821 HD13 LEU 102 HD13 LEU 102 18.847 16.860 -2.415 822 HD21 LEU 102 HD21 LEU 102 17.421 18.577 -3.953 823 HD22 LEU 102 HD22 LEU 102 19.016 19.041 -3.363 824 HD23 LEU 102 HD23 LEU 102 17.663 20.162 -3.217 825 H GLU 103 HN GLU 103 15.518 20.322 0.934 826 HA GLU 103 HA GLU 103 16.741 21.609 2.457 827 HB2 GLU 103 HB2 GLU 103 15.713 19.789 3.864 828 HB3 GLU 103 HB1 GLU 103 17.249 18.928 3.753 829 HG2 GLU 103 HG2 GLU 103 17.320 20.177 5.797 830 HG3 GLU 103 HG1 GLU 103 18.361 21.029 4.657 831 H HIS 104 HN HIS 104 18.324 21.681 0.497 832 HA HIS 104 HA HIS 104 20.764 20.207 0.529 833 HB2 HIS 104 HB2 HIS 104 19.981 21.635 -1.376 834 HB3 HIS 104 HB1 HIS 104 20.314 23.068 -0.403 835 HD1 HIS 104 HD1 HIS 104 22.136 20.035 -1.808 836 HD2 HIS 104 HD2 HIS 104 22.958 23.912 -0.518 837 HE1 HIS 104 HE1 HIS 104 24.580 20.456 -2.319 838 H HIS 105 HN HIS 105 20.181 23.553 1.660 839 HA HIS 105 HA HIS 105 21.561 23.190 4.157 840 HB2 HIS 105 HB2 HIS 105 23.503 23.087 2.561 841 HB3 HIS 105 HB1 HIS 105 23.094 24.718 2.035 842 HD1 HIS 105 HD1 HIS 105 23.322 26.642 3.843 843 HD2 HIS 105 HD2 HIS 105 24.857 22.949 5.020 844 HE1 HIS 105 HE1 HIS 105 24.774 27.084 5.870 845 H HIS 106 HN HIS 106 19.408 24.287 4.472 846 HA HIS 106 HA HIS 106 19.816 27.182 4.688 847 HB2 HIS 106 HB2 HIS 106 17.644 27.684 3.495 848 HB3 HIS 106 HB1 HIS 106 18.949 27.144 2.439 849 HD1 HIS 106 HD1 HIS 106 15.746 25.939 4.028 850 HD2 HIS 106 HD2 HIS 106 18.513 24.658 1.184 851 HE1 HIS 106 HE1 HIS 106 14.734 23.905 2.909 852 H HIS 107 HN HIS 107 19.131 27.607 6.688 853 HA HIS 107 HA HIS 107 17.126 25.850 7.992 854 HB2 HIS 107 HB2 HIS 107 18.980 28.021 8.995 855 HB3 HIS 107 HB1 HIS 107 17.770 27.250 10.020 856 HD1 HIS 107 HD1 HIS 107 21.147 27.007 9.758 857 HD2 HIS 107 HD2 HIS 107 18.195 24.119 9.185 858 HE1 HIS 107 HE1 HIS 107 22.272 24.759 10.074 859 H HIS 108 HN HIS 108 17.216 28.806 6.325 860 HA HIS 108 HA HIS 108 15.275 30.318 7.802 861 HB2 HIS 108 HB2 HIS 108 16.046 30.333 4.869 862 HB3 HIS 108 HB1 HIS 108 14.932 31.497 5.588 863 HD1 HIS 108 HD1 HIS 108 18.549 30.532 5.487 864 HD2 HIS 108 HD2 HIS 108 16.146 33.360 7.387 865 HE1 HIS 108 HE1 HIS 108 20.119 32.231 6.517 866 H HIS 109 HN HIS 109 14.988 27.948 5.181 867 HA HIS 109 HA HIS 109 12.051 28.162 5.139 868 HB2 HIS 109 HB2 HIS 109 13.409 27.725 3.074 869 HB3 HIS 109 HB1 HIS 109 13.868 26.166 3.756 870 HD1 HIS 109 HD1 HIS 109 12.177 24.276 3.636 871 HD2 HIS 109 HD2 HIS 109 10.570 27.935 2.448 872 HE1 HIS 109 HE1 HIS 109 9.898 23.772 2.653 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -12.835 17.258 -15.063 2 H2 MET 1 HT2 MET 1 -11.614 17.049 -16.224 3 H3 MET 1 HT3 MET 1 -11.207 17.287 -14.590 4 HA MET 1 HA MET 1 -12.875 15.110 -14.563 5 HB2 MET 1 HB2 MET 1 -10.906 15.025 -16.868 6 HB3 MET 1 HB1 MET 1 -11.696 13.600 -16.192 7 HG2 MET 1 HG2 MET 1 -13.907 14.602 -16.699 8 HG3 MET 1 HG1 MET 1 -13.097 15.991 -17.424 9 HE1 MET 1 HE1 MET 1 -11.699 14.905 -20.686 10 HE2 MET 1 HE2 MET 1 -10.809 15.176 -19.191 11 HE3 MET 1 HE3 MET 1 -12.195 16.192 -19.579 12 H GLU 2 HN GLU 2 -9.757 14.221 -15.617 13 HA GLU 2 HA GLU 2 -7.861 13.492 -14.491 14 HB2 GLU 2 HB2 GLU 2 -8.585 15.538 -12.378 15 HB3 GLU 2 HB1 GLU 2 -6.983 14.914 -12.762 16 HG2 GLU 2 HG2 GLU 2 -8.725 16.613 -14.574 17 HG3 GLU 2 HG1 GLU 2 -7.244 17.126 -13.763 18 HA PRO 3 HA PRO 3 -9.441 10.508 -11.591 19 HB2 PRO 3 HB2 PRO 3 -7.110 9.565 -10.507 20 HB3 PRO 3 HB1 PRO 3 -7.635 9.172 -12.154 21 HG2 PRO 3 HG2 PRO 3 -5.659 11.222 -11.239 22 HG3 PRO 3 HG1 PRO 3 -5.559 10.092 -12.602 23 HD2 PRO 3 HD2 PRO 3 -6.248 12.702 -12.940 24 HD3 PRO 3 HD1 PRO 3 -6.899 11.412 -13.973 25 H GLN 4 HN GLN 4 -9.691 10.110 -9.279 26 HA GLN 4 HA GLN 4 -9.610 12.530 -7.690 27 HB2 GLN 4 HB2 GLN 4 -10.249 9.650 -6.998 28 HB3 GLN 4 HB1 GLN 4 -10.421 10.989 -5.860 29 HG2 GLN 4 HG2 GLN 4 -12.006 12.099 -7.357 30 HG3 GLN 4 HG1 GLN 4 -11.789 10.829 -8.563 31 HE21 GLN 4 HE21 GLN 4 -14.329 10.872 -8.011 32 HE22 GLN 4 HE22 GLN 4 -14.815 9.756 -6.829 33 H LEU 5 HN LEU 5 -7.837 13.283 -6.638 34 HA LEU 5 HA LEU 5 -5.583 11.430 -6.076 35 HB2 LEU 5 HB2 LEU 5 -5.749 14.450 -5.814 36 HB3 LEU 5 HB1 LEU 5 -4.285 13.468 -5.754 37 HG LEU 5 HG LEU 5 -6.141 13.701 -8.141 38 HD11 LEU 5 HD11 LEU 5 -4.417 15.049 -9.153 39 HD12 LEU 5 HD12 LEU 5 -3.325 14.767 -7.798 40 HD13 LEU 5 HD13 LEU 5 -4.774 15.748 -7.574 41 HD21 LEU 5 HD21 LEU 5 -3.659 12.084 -7.567 42 HD22 LEU 5 HD22 LEU 5 -4.001 12.607 -9.217 43 HD23 LEU 5 HD23 LEU 5 -5.154 11.589 -8.363 44 H THR 6 HN THR 6 -5.183 10.752 -4.039 45 HA THR 6 HA THR 6 -6.515 12.174 -1.745 46 HB THR 6 HB THR 6 -5.992 9.202 -2.054 47 HG1 THR 6 HG1 THR 6 -7.756 9.549 -3.214 48 HG21 THR 6 HG21 THR 6 -5.808 9.885 0.264 49 HG22 THR 6 HG22 THR 6 -7.367 9.088 0.041 50 HG23 THR 6 HG23 THR 6 -7.281 10.847 0.138 51 H LYS 7 HN LYS 7 -5.282 12.251 0.204 52 HA LYS 7 HA LYS 7 -2.347 11.998 -0.252 53 HB2 LYS 7 HB2 LYS 7 -3.856 13.377 1.992 54 HB3 LYS 7 HB1 LYS 7 -2.126 13.479 1.670 55 HG2 LYS 7 HG2 LYS 7 -2.749 15.397 0.547 56 HG3 LYS 7 HG1 LYS 7 -3.051 14.261 -0.764 57 HD2 LYS 7 HD2 LYS 7 -5.428 14.113 -0.081 58 HD3 LYS 7 HD1 LYS 7 -5.117 15.245 1.235 59 HE2 LYS 7 HE2 LYS 7 -4.437 16.963 -0.396 60 HE3 LYS 7 HE1 LYS 7 -4.738 15.834 -1.716 61 HZ1 LYS 7 HZ1 LYS 7 -6.798 16.643 0.258 62 HZ2 LYS 7 HZ2 LYS 7 -7.032 15.760 -1.175 63 HZ3 LYS 7 HZ3 LYS 7 -6.593 17.399 -1.247 64 H ILE 8 HN ILE 8 -1.046 10.837 1.180 65 HA ILE 8 HA ILE 8 -2.084 8.453 2.315 66 HB ILE 8 HB ILE 8 0.193 8.508 3.602 67 HG12 ILE 8 HG12 ILE 8 0.640 10.803 1.670 68 HG13 ILE 8 HG11 ILE 8 0.355 11.032 3.391 69 HG21 ILE 8 HG21 ILE 8 -0.236 7.279 1.471 70 HG22 ILE 8 HG22 ILE 8 1.404 7.924 1.562 71 HG23 ILE 8 HG23 ILE 8 0.190 8.739 0.579 72 HD11 ILE 8 HD11 ILE 8 2.802 10.944 2.579 73 HD12 ILE 8 HD12 ILE 8 2.547 9.209 2.411 74 HD13 ILE 8 HD13 ILE 8 2.375 9.976 3.990 75 H VAL 9 HN VAL 9 -1.268 11.559 3.835 76 HA VAL 9 HA VAL 9 -1.902 10.741 6.517 77 HB VAL 9 HB VAL 9 -0.530 12.752 5.898 78 HG11 VAL 9 HG11 VAL 9 -1.564 14.726 5.058 79 HG12 VAL 9 HG12 VAL 9 -3.183 14.085 5.333 80 HG13 VAL 9 HG13 VAL 9 -2.175 13.414 4.051 81 HG21 VAL 9 HG21 VAL 9 -1.724 12.425 8.138 82 HG22 VAL 9 HG22 VAL 9 -2.957 13.531 7.531 83 HG23 VAL 9 HG23 VAL 9 -1.296 14.086 7.729 84 H ASP 10 HN ASP 10 -3.859 11.194 3.834 85 HA ASP 10 HA ASP 10 -6.254 11.991 5.434 86 HB2 ASP 10 HB2 ASP 10 -5.801 13.191 3.293 87 HB3 ASP 10 HB1 ASP 10 -5.953 11.658 2.434 88 H ILE 11 HN ILE 11 -4.744 9.238 5.146 89 HA ILE 11 HA ILE 11 -6.889 7.541 4.051 90 HB ILE 11 HB ILE 11 -4.251 6.898 5.401 91 HG12 ILE 11 HG12 ILE 11 -5.094 6.568 2.510 92 HG13 ILE 11 HG11 ILE 11 -4.233 7.985 3.111 93 HG21 ILE 11 HG21 ILE 11 -5.689 5.035 5.812 94 HG22 ILE 11 HG22 ILE 11 -4.716 4.590 4.411 95 HG23 ILE 11 HG23 ILE 11 -6.382 5.122 4.193 96 HD11 ILE 11 HD11 ILE 11 -2.344 6.638 3.786 97 HD12 ILE 11 HD12 ILE 11 -2.734 6.211 2.121 98 HD13 ILE 11 HD13 ILE 11 -3.222 5.147 3.439 99 H VAL 12 HN VAL 12 -8.633 7.114 5.321 100 HA VAL 12 HA VAL 12 -8.166 6.391 8.176 101 HB VAL 12 HB VAL 12 -10.173 7.718 8.840 102 HG11 VAL 12 HG11 VAL 12 -7.998 9.360 7.504 103 HG12 VAL 12 HG12 VAL 12 -7.845 8.592 9.083 104 HG13 VAL 12 HG13 VAL 12 -9.029 9.876 8.839 105 HG21 VAL 12 HG21 VAL 12 -10.922 9.501 7.252 106 HG22 VAL 12 HG22 VAL 12 -11.282 7.875 6.671 107 HG23 VAL 12 HG23 VAL 12 -9.915 8.768 6.003 108 H GLU 13 HN GLU 13 -9.335 5.507 5.256 109 HA GLU 13 HA GLU 13 -11.271 3.582 6.486 110 HB2 GLU 13 HB2 GLU 13 -12.550 5.399 5.360 111 HB3 GLU 13 HB1 GLU 13 -11.695 5.045 3.858 112 HG2 GLU 13 HG2 GLU 13 -12.598 2.768 3.845 113 HG3 GLU 13 HG1 GLU 13 -13.398 3.056 5.391 114 H ASN 14 HN ASN 14 -10.861 1.517 5.867 115 HA ASN 14 HA ASN 14 -8.736 1.066 3.832 116 HB2 ASN 14 HB2 ASN 14 -8.713 -1.250 4.746 117 HB3 ASN 14 HB1 ASN 14 -8.423 -0.030 5.986 118 HD21 ASN 14 HD21 ASN 14 -9.429 -0.832 7.844 119 HD22 ASN 14 HD22 ASN 14 -11.026 -1.401 7.908 120 H GLY 15 HN GLY 15 -9.030 -0.551 2.158 121 HA2 GLY 15 HA2 GLY 15 -10.276 -1.810 0.599 122 HA3 GLY 15 HA1 GLY 15 -11.682 -1.658 1.655 123 H GLN 16 HN GLN 16 -10.016 1.250 0.854 124 HA GLN 16 HA GLN 16 -12.324 2.089 -0.846 125 HB2 GLN 16 HB2 GLN 16 -11.492 4.390 -0.396 126 HB3 GLN 16 HB1 GLN 16 -11.870 3.511 1.086 127 HG2 GLN 16 HG2 GLN 16 -9.483 2.940 1.356 128 HG3 GLN 16 HG1 GLN 16 -9.105 3.830 -0.119 129 HE21 GLN 16 HE21 GLN 16 -7.717 5.034 1.671 130 HE22 GLN 16 HE22 GLN 16 -8.475 6.357 2.417 131 H TRP 17 HN TRP 17 -11.889 3.309 -2.790 132 HA TRP 17 HA TRP 17 -9.333 2.502 -4.131 133 HB2 TRP 17 HB2 TRP 17 -12.053 3.261 -5.231 134 HB3 TRP 17 HB1 TRP 17 -10.627 2.994 -6.236 135 HD1 TRP 17 HD1 TRP 17 -13.308 1.188 -4.325 136 HE1 TRP 17 HE1 TRP 17 -12.999 -1.358 -4.591 137 HE3 TRP 17 HE3 TRP 17 -8.713 1.087 -6.548 138 HZ2 TRP 17 HZ2 TRP 17 -11.056 -3.194 -5.614 139 HZ3 TRP 17 HZ3 TRP 17 -7.657 -1.069 -7.158 140 HH2 TRP 17 HH2 TRP 17 -8.822 -3.208 -6.694 141 H ALA 18 HN ALA 18 -7.963 4.068 -4.835 142 HA ALA 18 HA ALA 18 -8.861 6.797 -5.341 143 HB1 ALA 18 HB1 ALA 18 -8.747 7.069 -2.971 144 HB2 ALA 18 HB2 ALA 18 -7.274 7.800 -3.609 145 HB3 ALA 18 HB3 ALA 18 -7.218 6.198 -2.871 146 H ASN 19 HN ASN 19 -6.629 8.221 -5.502 147 HA ASN 19 HA ASN 19 -4.654 6.536 -7.030 148 HB2 ASN 19 HB2 ASN 19 -5.416 9.420 -7.558 149 HB3 ASN 19 HB1 ASN 19 -4.338 8.415 -8.528 150 HD21 ASN 19 HD21 ASN 19 -5.288 6.951 -10.023 151 HD22 ASN 19 HD22 ASN 19 -6.962 6.802 -10.248 152 H LEU 20 HN LEU 20 -2.523 6.793 -6.385 153 HA LEU 20 HA LEU 20 -1.855 9.111 -4.617 154 HB2 LEU 20 HB2 LEU 20 -1.472 6.168 -4.059 155 HB3 LEU 20 HB1 LEU 20 -0.457 7.379 -3.279 156 HG LEU 20 HG LEU 20 -3.454 7.728 -3.200 157 HD11 LEU 20 HD11 LEU 20 -3.306 6.464 -0.946 158 HD12 LEU 20 HD12 LEU 20 -1.818 5.766 -1.585 159 HD13 LEU 20 HD13 LEU 20 -3.348 5.495 -2.416 160 HD21 LEU 20 HD21 LEU 20 -1.304 8.280 -1.136 161 HD22 LEU 20 HD22 LEU 20 -2.957 8.890 -1.138 162 HD23 LEU 20 HD23 LEU 20 -1.802 9.462 -2.341 163 H LYS 21 HN LYS 21 0.128 9.964 -4.972 164 HA LYS 21 HA LYS 21 1.938 8.565 -6.925 165 HB2 LYS 21 HB2 LYS 21 0.804 10.724 -7.703 166 HB3 LYS 21 HB1 LYS 21 1.766 11.552 -6.479 167 HG2 LYS 21 HG2 LYS 21 3.828 10.832 -7.506 168 HG3 LYS 21 HG1 LYS 21 2.966 9.775 -8.620 169 HD2 LYS 21 HD2 LYS 21 3.586 11.804 -9.800 170 HD3 LYS 21 HD1 LYS 21 1.836 11.781 -9.590 171 HE2 LYS 21 HE2 LYS 21 1.901 13.408 -7.880 172 HE3 LYS 21 HE1 LYS 21 3.626 13.166 -7.593 173 HZ1 LYS 21 HZ1 LYS 21 3.060 15.206 -8.870 174 HZ2 LYS 21 HZ2 LYS 21 2.512 14.211 -10.135 175 HZ3 LYS 21 HZ3 LYS 21 4.143 14.170 -9.663 176 H ALA 22 HN ALA 22 3.985 8.247 -6.241 177 HA ALA 22 HA ALA 22 5.161 9.883 -4.116 178 HB1 ALA 22 HB1 ALA 22 3.644 8.321 -2.877 179 HB2 ALA 22 HB2 ALA 22 5.338 8.165 -2.424 180 HB3 ALA 22 HB3 ALA 22 4.598 6.973 -3.493 181 H LYS 23 HN LYS 23 7.343 9.342 -3.658 182 HA LYS 23 HA LYS 23 8.705 7.990 -5.942 183 HB2 LYS 23 HB2 LYS 23 9.315 10.365 -5.066 184 HB3 LYS 23 HB1 LYS 23 10.127 9.503 -3.758 185 HG2 LYS 23 HG2 LYS 23 11.529 8.316 -5.339 186 HG3 LYS 23 HG1 LYS 23 10.651 9.012 -6.702 187 HD2 LYS 23 HD2 LYS 23 11.390 11.251 -6.090 188 HD3 LYS 23 HD1 LYS 23 12.182 10.626 -4.644 189 HE2 LYS 23 HE2 LYS 23 13.831 10.962 -6.425 190 HE3 LYS 23 HE1 LYS 23 13.657 9.244 -6.071 191 HZ1 LYS 23 HZ1 LYS 23 12.057 9.127 -7.941 192 HZ2 LYS 23 HZ2 LYS 23 13.632 9.541 -8.425 193 HZ3 LYS 23 HZ3 LYS 23 12.429 10.737 -8.324 194 H VAL 24 HN VAL 24 10.633 6.604 -5.408 195 HA VAL 24 HA VAL 24 9.912 4.798 -3.174 196 HB VAL 24 HB VAL 24 12.000 4.459 -5.326 197 HG11 VAL 24 HG11 VAL 24 11.634 2.032 -4.769 198 HG12 VAL 24 HG12 VAL 24 10.610 2.544 -3.427 199 HG13 VAL 24 HG13 VAL 24 12.324 2.961 -3.438 200 HG21 VAL 24 HG21 VAL 24 10.292 3.136 -6.508 201 HG22 VAL 24 HG22 VAL 24 9.738 4.793 -6.278 202 HG23 VAL 24 HG23 VAL 24 9.120 3.508 -5.242 203 H ILE 25 HN ILE 25 10.731 5.780 -1.310 204 HA ILE 25 HA ILE 25 13.465 6.823 -1.240 205 HB ILE 25 HB ILE 25 13.004 7.109 1.191 206 HG12 ILE 25 HG12 ILE 25 10.282 5.976 0.501 207 HG13 ILE 25 HG11 ILE 25 11.521 5.088 1.385 208 HG21 ILE 25 HG21 ILE 25 10.667 8.057 -0.484 209 HG22 ILE 25 HG22 ILE 25 12.282 8.751 -0.630 210 HG23 ILE 25 HG23 ILE 25 11.408 8.867 0.897 211 HD11 ILE 25 HD11 ILE 25 9.990 6.118 2.974 212 HD12 ILE 25 HD12 ILE 25 10.237 7.696 2.227 213 HD13 ILE 25 HD13 ILE 25 11.563 6.908 3.081 214 H GLN 26 HN GLN 26 11.872 3.811 -0.474 215 HA GLN 26 HA GLN 26 14.521 2.567 0.026 216 HB2 GLN 26 HB2 GLN 26 13.677 3.176 2.267 217 HB3 GLN 26 HB1 GLN 26 12.172 2.317 1.934 218 HG2 GLN 26 HG2 GLN 26 13.337 0.206 1.759 219 HG3 GLN 26 HG1 GLN 26 14.905 1.009 1.862 220 HE21 GLN 26 HE21 GLN 26 14.070 -1.020 3.744 221 HE22 GLN 26 HE22 GLN 26 13.914 -0.284 5.265 222 H LEU 27 HN LEU 27 14.610 0.634 -1.020 223 HA LEU 27 HA LEU 27 12.041 -0.638 -1.890 224 HB2 LEU 27 HB2 LEU 27 13.457 0.293 -3.735 225 HB3 LEU 27 HB1 LEU 27 14.760 -0.779 -3.223 226 HG LEU 27 HG LEU 27 13.239 -2.722 -3.570 227 HD11 LEU 27 HD11 LEU 27 11.357 -0.517 -4.353 228 HD12 LEU 27 HD12 LEU 27 11.036 -1.997 -3.449 229 HD13 LEU 27 HD13 LEU 27 11.243 -2.061 -5.196 230 HD21 LEU 27 HD21 LEU 27 13.619 -0.929 -5.987 231 HD22 LEU 27 HD22 LEU 27 13.365 -2.673 -6.035 232 HD23 LEU 27 HD23 LEU 27 14.836 -2.015 -5.317 233 H TRP 28 HN TRP 28 11.809 -2.837 -1.493 234 HA TRP 28 HA TRP 28 14.135 -4.394 -0.543 235 HB2 TRP 28 HB2 TRP 28 13.056 -3.245 1.473 236 HB3 TRP 28 HB1 TRP 28 11.637 -4.247 1.162 237 HD1 TRP 28 HD1 TRP 28 15.425 -4.669 1.788 238 HE1 TRP 28 HE1 TRP 28 15.794 -6.909 3.009 239 HE3 TRP 28 HE3 TRP 28 10.637 -6.435 1.845 240 HZ2 TRP 28 HZ2 TRP 28 14.257 -9.153 3.896 241 HZ3 TRP 28 HZ3 TRP 28 10.116 -8.623 2.883 242 HH2 TRP 28 HH2 TRP 28 11.919 -9.983 3.907 243 H GLU 29 HN GLU 29 13.926 -6.523 -1.119 244 HA GLU 29 HA GLU 29 11.536 -7.266 -2.701 245 HB2 GLU 29 HB2 GLU 29 14.175 -8.667 -2.199 246 HB3 GLU 29 HB1 GLU 29 12.884 -9.331 -3.202 247 HG2 GLU 29 HG2 GLU 29 12.989 -7.381 -4.678 248 HG3 GLU 29 HG1 GLU 29 14.226 -6.651 -3.655 249 H ASN 30 HN ASN 30 10.093 -8.905 -2.120 250 HA ASN 30 HA ASN 30 10.261 -9.824 0.722 251 HB2 ASN 30 HB2 ASN 30 8.182 -8.640 -0.384 252 HB3 ASN 30 HB1 ASN 30 7.867 -10.234 -1.067 253 HD21 ASN 30 HD21 ASN 30 9.243 -11.355 1.526 254 HD22 ASN 30 HD22 ASN 30 7.991 -11.300 2.672 255 H THR 31 HN THR 31 10.280 -12.028 1.209 256 HA THR 31 HA THR 31 10.560 -13.919 -1.115 257 HB THR 31 HB THR 31 12.687 -13.906 -0.123 258 HG1 THR 31 HG1 THR 31 11.585 -16.007 -0.092 259 HG21 THR 31 HG21 THR 31 12.180 -12.443 1.753 260 HG22 THR 31 HG22 THR 31 13.000 -13.883 2.356 261 HG23 THR 31 HG23 THR 31 11.254 -13.721 2.539 262 H HIS 32 HN HIS 32 8.226 -13.035 0.696 263 HA HIS 32 HA HIS 32 7.543 -15.407 2.237 264 HB2 HIS 32 HB2 HIS 32 6.702 -12.989 2.600 265 HB3 HIS 32 HB1 HIS 32 5.589 -13.311 1.273 266 HD1 HIS 32 HD1 HIS 32 6.599 -15.832 3.920 267 HD2 HIS 32 HD2 HIS 32 3.251 -13.620 2.790 268 HE1 HIS 32 HE1 HIS 32 4.669 -16.685 5.324 269 H GLU 33 HN GLU 33 7.795 -14.942 -0.975 270 HA GLU 33 HA GLU 33 7.081 -16.152 -2.844 271 HB2 GLU 33 HB2 GLU 33 7.302 -18.098 -1.221 272 HB3 GLU 33 HB1 GLU 33 5.573 -17.943 -0.924 273 HG2 GLU 33 HG2 GLU 33 5.097 -18.288 -3.300 274 HG3 GLU 33 HG1 GLU 33 6.825 -18.391 -3.645 275 H SER 34 HN SER 34 4.597 -15.413 -0.423 276 HA SER 34 HA SER 34 2.491 -15.321 -2.495 277 HB2 SER 34 HB2 SER 34 0.997 -14.791 -0.646 278 HB3 SER 34 HB1 SER 34 2.022 -16.142 -0.171 279 HG SER 34 HG SER 34 1.742 -13.813 1.029 280 H ILE 35 HN ILE 35 4.926 -13.332 -1.399 281 HA ILE 35 HA ILE 35 3.461 -10.858 -2.280 282 HB ILE 35 HB ILE 35 5.617 -11.101 -0.163 283 HG12 ILE 35 HG12 ILE 35 2.734 -10.199 0.093 284 HG13 ILE 35 HG11 ILE 35 3.252 -11.854 0.418 285 HG21 ILE 35 HG21 ILE 35 4.980 -8.638 0.144 286 HG22 ILE 35 HG22 ILE 35 4.174 -8.763 -1.421 287 HG23 ILE 35 HG23 ILE 35 5.913 -9.017 -1.304 288 HD11 ILE 35 HD11 ILE 35 3.166 -10.501 2.493 289 HD12 ILE 35 HD12 ILE 35 4.341 -9.383 1.799 290 HD13 ILE 35 HD13 ILE 35 4.806 -11.049 2.142 291 H SER 36 HN SER 36 4.656 -9.386 -3.526 292 HA SER 36 HA SER 36 6.916 -10.605 -5.008 293 HB2 SER 36 HB2 SER 36 5.599 -7.926 -5.496 294 HB3 SER 36 HB1 SER 36 6.550 -8.882 -6.630 295 HG SER 36 HG SER 36 4.119 -9.741 -5.439 296 H GLN 37 HN GLN 37 6.228 -7.469 -3.396 297 HA GLN 37 HA GLN 37 8.923 -7.439 -2.268 298 HB2 GLN 37 HB2 GLN 37 9.542 -5.286 -3.406 299 HB3 GLN 37 HB1 GLN 37 9.472 -6.671 -4.496 300 HG2 GLN 37 HG2 GLN 37 7.217 -6.029 -5.209 301 HG3 GLN 37 HG1 GLN 37 7.232 -4.670 -4.084 302 HE21 GLN 37 HE21 GLN 37 8.243 -5.732 -7.238 303 HE22 GLN 37 HE22 GLN 37 9.071 -4.316 -7.676 304 H VAL 38 HN VAL 38 9.279 -5.337 -1.074 305 HA VAL 38 HA VAL 38 6.801 -3.877 -0.344 306 HB VAL 38 HB VAL 38 8.494 -5.368 1.688 307 HG11 VAL 38 HG11 VAL 38 6.223 -3.381 1.936 308 HG12 VAL 38 HG12 VAL 38 7.822 -3.297 2.676 309 HG13 VAL 38 HG13 VAL 38 6.652 -4.491 3.240 310 HG21 VAL 38 HG21 VAL 38 6.967 -6.874 0.571 311 HG22 VAL 38 HG22 VAL 38 5.654 -5.705 0.692 312 HG23 VAL 38 HG23 VAL 38 6.272 -6.489 2.144 313 H GLY 39 HN GLY 39 7.283 -1.876 0.822 314 HA2 GLY 39 HA2 GLY 39 9.938 -1.092 1.518 315 HA3 GLY 39 HA1 GLY 39 9.636 -0.573 -0.137 316 H LEU 40 HN LEU 40 9.920 1.593 0.818 317 HA LEU 40 HA LEU 40 7.340 2.630 1.945 318 HB2 LEU 40 HB2 LEU 40 10.125 3.572 2.703 319 HB3 LEU 40 HB1 LEU 40 8.603 4.236 3.293 320 HG LEU 40 HG LEU 40 8.198 1.632 3.955 321 HD11 LEU 40 HD11 LEU 40 10.392 0.900 3.088 322 HD12 LEU 40 HD12 LEU 40 10.300 0.685 4.836 323 HD13 LEU 40 HD13 LEU 40 11.200 2.043 4.162 324 HD21 LEU 40 HD21 LEU 40 9.193 2.241 6.229 325 HD22 LEU 40 HD22 LEU 40 7.989 3.362 5.592 326 HD23 LEU 40 HD23 LEU 40 9.705 3.762 5.494 327 H LEU 41 HN LEU 41 6.712 4.651 1.181 328 HA LEU 41 HA LEU 41 8.433 5.911 -0.903 329 HB2 LEU 41 HB2 LEU 41 5.486 5.231 -1.215 330 HB3 LEU 41 HB1 LEU 41 6.461 6.160 -2.357 331 HG LEU 41 HG LEU 41 8.053 3.972 -2.129 332 HD11 LEU 41 HD11 LEU 41 5.338 2.687 -2.086 333 HD12 LEU 41 HD12 LEU 41 6.189 3.011 -0.574 334 HD13 LEU 41 HD13 LEU 41 6.929 1.981 -1.796 335 HD21 LEU 41 HD21 LEU 41 5.634 4.212 -3.935 336 HD22 LEU 41 HD22 LEU 41 7.027 3.167 -4.223 337 HD23 LEU 41 HD23 LEU 41 7.223 4.922 -4.223 338 H GLY 42 HN GLY 42 8.221 8.109 -1.075 339 HA2 GLY 42 HA2 GLY 42 6.683 9.430 1.136 340 HA3 GLY 42 HA1 GLY 42 8.076 10.128 0.306 341 H ASP 43 HN ASP 43 5.012 10.801 0.596 342 HA ASP 43 HA ASP 43 4.544 11.281 -2.333 343 HB2 ASP 43 HB2 ASP 43 2.852 9.833 -1.249 344 HB3 ASP 43 HB1 ASP 43 2.505 11.120 -0.101 345 H GLU 44 HN GLU 44 5.669 12.979 0.340 346 HA GLU 44 HA GLU 44 6.100 15.279 0.247 347 HB2 GLU 44 HB2 GLU 44 4.818 15.451 -1.986 348 HB3 GLU 44 HB1 GLU 44 3.389 15.746 -1.000 349 HG2 GLU 44 HG2 GLU 44 4.479 17.651 0.053 350 HG3 GLU 44 HG1 GLU 44 5.938 17.353 -0.891 351 H THR 45 HN THR 45 2.960 13.825 0.979 352 HA THR 45 HA THR 45 2.555 15.734 3.219 353 HB THR 45 HB THR 45 0.370 14.728 3.432 354 HG1 THR 45 HG1 THR 45 0.131 12.982 1.611 355 HG21 THR 45 HG21 THR 45 0.901 16.280 1.470 356 HG22 THR 45 HG22 THR 45 -0.539 15.276 1.302 357 HG23 THR 45 HG23 THR 45 0.950 14.828 0.471 358 H GLY 46 HN GLY 46 4.230 12.879 2.726 359 HA2 GLY 46 HA2 GLY 46 5.162 12.421 5.243 360 HA3 GLY 46 HA1 GLY 46 3.585 11.637 5.318 361 H ILE 47 HN ILE 47 4.508 9.557 5.533 362 HA ILE 47 HA ILE 47 5.623 8.432 2.989 363 HB ILE 47 HB ILE 47 7.116 6.988 4.344 364 HG12 ILE 47 HG12 ILE 47 6.312 8.783 6.656 365 HG13 ILE 47 HG11 ILE 47 5.749 7.125 6.455 366 HG21 ILE 47 HG21 ILE 47 7.808 9.236 3.389 367 HG22 ILE 47 HG22 ILE 47 8.781 8.659 4.742 368 HG23 ILE 47 HG23 ILE 47 7.561 9.906 5.002 369 HD11 ILE 47 HD11 ILE 47 8.189 6.427 6.358 370 HD12 ILE 47 HD12 ILE 47 7.638 7.019 7.925 371 HD13 ILE 47 HD13 ILE 47 8.593 8.064 6.874 372 H ILE 48 HN ILE 48 5.253 6.069 2.810 373 HA ILE 48 HA ILE 48 3.363 4.848 4.687 374 HB ILE 48 HB ILE 48 1.923 6.266 3.190 375 HG12 ILE 48 HG12 ILE 48 0.378 4.390 2.549 376 HG13 ILE 48 HG11 ILE 48 1.659 3.252 2.958 377 HG21 ILE 48 HG21 ILE 48 1.709 5.716 0.852 378 HG22 ILE 48 HG22 ILE 48 2.791 4.336 1.019 379 HG23 ILE 48 HG23 ILE 48 3.423 5.975 1.176 380 HD11 ILE 48 HD11 ILE 48 -0.210 3.936 4.731 381 HD12 ILE 48 HD12 ILE 48 0.896 5.277 5.030 382 HD13 ILE 48 HD13 ILE 48 1.450 3.614 5.227 383 H LYS 49 HN LYS 49 3.448 2.602 4.551 384 HA LYS 49 HA LYS 49 5.507 1.487 2.757 385 HB2 LYS 49 HB2 LYS 49 5.413 0.916 5.192 386 HB3 LYS 49 HB1 LYS 49 3.857 0.140 4.903 387 HG2 LYS 49 HG2 LYS 49 5.061 -1.265 3.119 388 HG3 LYS 49 HG1 LYS 49 6.561 -0.656 3.815 389 HD2 LYS 49 HD2 LYS 49 4.388 -2.094 5.362 390 HD3 LYS 49 HD1 LYS 49 5.872 -2.830 4.781 391 HE2 LYS 49 HE2 LYS 49 5.556 -0.699 6.885 392 HE3 LYS 49 HE1 LYS 49 6.332 -2.273 7.038 393 HZ1 LYS 49 HZ1 LYS 49 7.324 0.167 5.734 394 HZ2 LYS 49 HZ2 LYS 49 7.872 -1.348 5.194 395 HZ3 LYS 49 HZ3 LYS 49 8.120 -0.876 6.807 396 H PHE 50 HN PHE 50 5.014 0.316 0.947 397 HA PHE 50 HA PHE 50 2.177 -0.599 0.597 398 HB2 PHE 50 HB2 PHE 50 2.128 0.225 -1.573 399 HB3 PHE 50 HB1 PHE 50 3.166 1.435 -0.830 400 HD1 PHE 50 HD2 PHE 50 5.744 -0.001 -0.603 401 HD2 PHE 50 HD1 PHE 50 2.865 -0.002 -3.789 402 HE1 PHE 50 HE2 PHE 50 7.525 -0.613 -2.206 403 HE2 PHE 50 HE1 PHE 50 4.649 -0.612 -5.395 404 HZ PHE 50 HZ PHE 50 6.981 -0.923 -4.602 405 H THR 51 HN THR 51 1.924 -2.511 -0.626 406 HA THR 51 HA THR 51 4.381 -4.180 -1.011 407 HB THR 51 HB THR 51 1.780 -5.008 0.309 408 HG1 THR 51 HG1 THR 51 2.904 -4.416 1.971 409 HG21 THR 51 HG21 THR 51 4.094 -6.576 -0.797 410 HG22 THR 51 HG22 THR 51 2.365 -6.900 -0.940 411 HG23 THR 51 HG23 THR 51 3.194 -7.187 0.591 412 H ILE 52 HN ILE 52 4.418 -5.216 -2.944 413 HA ILE 52 HA ILE 52 2.029 -4.940 -4.717 414 HB ILE 52 HB ILE 52 4.884 -5.692 -5.403 415 HG12 ILE 52 HG12 ILE 52 3.421 -3.051 -5.715 416 HG13 ILE 52 HG11 ILE 52 4.647 -3.386 -4.494 417 HG21 ILE 52 HG21 ILE 52 3.201 -6.496 -7.031 418 HG22 ILE 52 HG22 ILE 52 4.173 -5.197 -7.717 419 HG23 ILE 52 HG23 ILE 52 2.539 -4.865 -7.145 420 HD11 ILE 52 HD11 ILE 52 5.944 -2.394 -6.151 421 HD12 ILE 52 HD12 ILE 52 4.963 -3.057 -7.456 422 HD13 ILE 52 HD13 ILE 52 6.102 -4.091 -6.597 423 H TRP 53 HN TRP 53 0.768 -6.698 -5.004 424 HA TRP 53 HA TRP 53 1.646 -9.313 -4.045 425 HB2 TRP 53 HB2 TRP 53 -0.877 -8.357 -5.414 426 HB3 TRP 53 HB1 TRP 53 -0.631 -10.019 -4.875 427 HD1 TRP 53 HD1 TRP 53 -1.503 -6.587 -3.637 428 HE1 TRP 53 HE1 TRP 53 -1.899 -6.656 -1.090 429 HE3 TRP 53 HE3 TRP 53 0.196 -11.285 -2.611 430 HZ2 TRP 53 HZ2 TRP 53 -1.537 -8.469 1.096 431 HZ3 TRP 53 HZ3 TRP 53 0.164 -12.161 -0.293 432 HH2 TRP 53 HH2 TRP 53 -0.702 -10.760 1.561 433 H LYS 54 HN LYS 54 1.907 -11.196 -5.317 434 HA LYS 54 HA LYS 54 3.206 -10.835 -7.853 435 HB2 LYS 54 HB2 LYS 54 2.098 -13.298 -6.483 436 HB3 LYS 54 HB1 LYS 54 2.983 -13.359 -8.007 437 HG2 LYS 54 HG2 LYS 54 4.914 -12.259 -6.924 438 HG3 LYS 54 HG1 LYS 54 4.032 -12.233 -5.395 439 HD2 LYS 54 HD2 LYS 54 3.862 -14.710 -5.473 440 HD3 LYS 54 HD1 LYS 54 4.812 -14.712 -6.960 441 HE2 LYS 54 HE2 LYS 54 5.725 -13.708 -4.249 442 HE3 LYS 54 HE1 LYS 54 6.284 -15.165 -5.069 443 HZ1 LYS 54 HZ1 LYS 54 6.912 -12.373 -5.611 444 HZ2 LYS 54 HZ2 LYS 54 6.760 -13.400 -6.957 445 HZ3 LYS 54 HZ3 LYS 54 7.892 -13.751 -5.740 446 H ASN 55 HN ASN 55 -0.092 -11.671 -6.935 447 HA ASN 55 HA ASN 55 -1.044 -12.540 -9.462 448 HB2 ASN 55 HB2 ASN 55 -2.594 -10.943 -7.404 449 HB3 ASN 55 HB1 ASN 55 -3.260 -12.045 -8.611 450 HD21 ASN 55 HD21 ASN 55 -1.069 -14.047 -8.236 451 HD22 ASN 55 HD22 ASN 55 -1.377 -14.793 -6.742 452 H ALA 56 HN ALA 56 -0.152 -9.375 -8.365 453 HA ALA 56 HA ALA 56 -1.739 -7.911 -10.316 454 HB1 ALA 56 HB1 ALA 56 -0.708 -5.993 -9.465 455 HB2 ALA 56 HB2 ALA 56 0.818 -6.823 -9.152 456 HB3 ALA 56 HB3 ALA 56 -0.563 -7.089 -8.092 457 H GLU 57 HN GLU 57 1.137 -9.758 -10.410 458 HA GLU 57 HA GLU 57 2.832 -10.003 -12.031 459 HB2 GLU 57 HB2 GLU 57 0.358 -9.504 -13.706 460 HB3 GLU 57 HB1 GLU 57 1.890 -10.078 -14.368 461 HG2 GLU 57 HG2 GLU 57 1.820 -12.044 -12.918 462 HG3 GLU 57 HG1 GLU 57 0.337 -11.462 -12.163 463 H LEU 58 HN LEU 58 2.929 -7.444 -10.953 464 HA LEU 58 HA LEU 58 3.166 -5.592 -13.273 465 HB2 LEU 58 HB2 LEU 58 3.092 -5.210 -10.283 466 HB3 LEU 58 HB1 LEU 58 3.646 -3.916 -11.342 467 HG LEU 58 HG LEU 58 1.004 -5.310 -11.830 468 HD11 LEU 58 HD11 LEU 58 1.434 -2.834 -10.130 469 HD12 LEU 58 HD12 LEU 58 1.042 -4.430 -9.489 470 HD13 LEU 58 HD13 LEU 58 -0.115 -3.584 -10.517 471 HD21 LEU 58 HD21 LEU 58 1.627 -3.945 -13.683 472 HD22 LEU 58 HD22 LEU 58 2.247 -2.666 -12.640 473 HD23 LEU 58 HD23 LEU 58 0.512 -2.947 -12.756 474 HA PRO 59 HA PRO 59 7.586 -6.024 -13.344 475 HB2 PRO 59 HB2 PRO 59 8.351 -3.521 -14.217 476 HB3 PRO 59 HB1 PRO 59 7.630 -4.754 -15.271 477 HG2 PRO 59 HG2 PRO 59 6.346 -2.390 -13.975 478 HG3 PRO 59 HG1 PRO 59 6.103 -3.060 -15.599 479 HD2 PRO 59 HD2 PRO 59 4.356 -3.517 -13.544 480 HD3 PRO 59 HD1 PRO 59 4.621 -4.684 -14.857 481 H LEU 60 HN LEU 60 9.591 -5.252 -12.313 482 HA LEU 60 HA LEU 60 9.173 -4.449 -9.576 483 HB2 LEU 60 HB2 LEU 60 11.757 -4.539 -11.163 484 HB3 LEU 60 HB1 LEU 60 11.606 -4.574 -9.405 485 HG LEU 60 HG LEU 60 10.502 -6.665 -11.306 486 HD11 LEU 60 HD11 LEU 60 12.939 -6.591 -9.516 487 HD12 LEU 60 HD12 LEU 60 12.880 -6.885 -11.254 488 HD13 LEU 60 HD13 LEU 60 12.258 -8.097 -10.133 489 HD21 LEU 60 HD21 LEU 60 10.334 -7.905 -8.992 490 HD22 LEU 60 HD22 LEU 60 9.080 -6.754 -9.441 491 HD23 LEU 60 HD23 LEU 60 10.353 -6.275 -8.318 492 H LEU 61 HN LEU 61 9.296 -2.464 -8.661 493 HA LEU 61 HA LEU 61 9.365 -0.115 -10.388 494 HB2 LEU 61 HB2 LEU 61 9.052 -0.564 -7.418 495 HB3 LEU 61 HB1 LEU 61 9.219 1.063 -8.081 496 HG LEU 61 HG LEU 61 7.286 0.620 -9.583 497 HD11 LEU 61 HD11 LEU 61 7.271 -1.720 -9.888 498 HD12 LEU 61 HD12 LEU 61 5.875 -1.434 -8.853 499 HD13 LEU 61 HD13 LEU 61 7.376 -2.040 -8.155 500 HD21 LEU 61 HD21 LEU 61 6.934 0.280 -6.598 501 HD22 LEU 61 HD22 LEU 61 5.560 0.466 -7.689 502 HD23 LEU 61 HD23 LEU 61 6.758 1.753 -7.550 503 H GLU 62 HN GLU 62 10.988 1.490 -10.430 504 HA GLU 62 HA GLU 62 13.675 0.525 -9.699 505 HB2 GLU 62 HB2 GLU 62 13.157 1.657 -11.895 506 HB3 GLU 62 HB1 GLU 62 12.879 3.147 -10.995 507 HG2 GLU 62 HG2 GLU 62 15.155 3.205 -11.778 508 HG3 GLU 62 HG1 GLU 62 15.215 2.892 -10.043 509 H GLN 63 HN GLN 63 14.784 1.192 -7.938 510 HA GLN 63 HA GLN 63 13.490 2.824 -5.940 511 HB2 GLN 63 HB2 GLN 63 15.019 0.979 -5.351 512 HB3 GLN 63 HB1 GLN 63 16.359 1.871 -6.074 513 HG2 GLN 63 HG2 GLN 63 16.124 3.661 -4.467 514 HG3 GLN 63 HG1 GLN 63 14.641 2.951 -3.825 515 HE21 GLN 63 HE21 GLN 63 16.389 3.264 -1.857 516 HE22 GLN 63 HE22 GLN 63 17.232 1.841 -1.479 517 H GLY 64 HN GLY 64 13.765 4.993 -5.474 518 HA2 GLY 64 HA2 GLY 64 14.871 7.100 -5.473 519 HA3 GLY 64 HA1 GLY 64 16.053 6.464 -6.613 520 H GLU 65 HN GLU 65 12.997 5.630 -7.701 521 HA GLU 65 HA GLU 65 12.932 8.001 -9.537 522 HB2 GLU 65 HB2 GLU 65 12.118 5.115 -9.952 523 HB3 GLU 65 HB1 GLU 65 11.743 6.405 -11.091 524 HG2 GLU 65 HG2 GLU 65 14.546 5.720 -10.157 525 HG3 GLU 65 HG1 GLU 65 13.842 5.151 -11.670 526 H SER 66 HN SER 66 10.873 8.718 -10.256 527 HA SER 66 HA SER 66 8.838 8.692 -8.123 528 HB2 SER 66 HB2 SER 66 9.184 10.252 -10.677 529 HB3 SER 66 HB1 SER 66 7.687 10.327 -9.752 530 HG SER 66 HG SER 66 10.112 10.629 -8.394 531 H TYR 67 HN TYR 67 6.787 7.792 -8.307 532 HA TYR 67 HA TYR 67 6.077 6.446 -10.873 533 HB2 TYR 67 HB2 TYR 67 6.389 5.147 -8.166 534 HB3 TYR 67 HB1 TYR 67 5.229 4.503 -9.326 535 HD1 TYR 67 HD1 TYR 67 6.090 4.019 -11.722 536 HD2 TYR 67 HD2 TYR 67 8.668 4.548 -8.330 537 HE1 TYR 67 HE1 TYR 67 7.913 2.846 -12.926 538 HE2 TYR 67 HE2 TYR 67 10.491 3.376 -9.532 539 HH TYR 67 HH TYR 67 9.956 1.620 -12.419 540 H LEU 68 HN LEU 68 3.939 6.309 -11.247 541 HA LEU 68 HA LEU 68 2.105 7.744 -9.346 542 HB2 LEU 68 HB2 LEU 68 2.305 8.931 -11.452 543 HB3 LEU 68 HB1 LEU 68 1.979 7.461 -12.364 544 HG LEU 68 HG LEU 68 -0.286 7.370 -11.453 545 HD11 LEU 68 HD11 LEU 68 -1.013 9.503 -10.133 546 HD12 LEU 68 HD12 LEU 68 0.708 9.677 -9.788 547 HD13 LEU 68 HD13 LEU 68 -0.157 8.230 -9.269 548 HD21 LEU 68 HD21 LEU 68 0.321 10.187 -12.391 549 HD22 LEU 68 HD22 LEU 68 -1.204 9.317 -12.568 550 HD23 LEU 68 HD23 LEU 68 0.221 8.792 -13.466 551 H LEU 69 HN LEU 69 0.498 6.536 -8.479 552 HA LEU 69 HA LEU 69 -0.069 3.854 -9.705 553 HB2 LEU 69 HB2 LEU 69 -0.445 4.649 -6.804 554 HB3 LEU 69 HB1 LEU 69 -0.527 3.033 -7.504 555 HG LEU 69 HG LEU 69 1.991 3.706 -8.291 556 HD11 LEU 69 HD11 LEU 69 3.130 4.865 -6.431 557 HD12 LEU 69 HD12 LEU 69 1.577 5.139 -5.644 558 HD13 LEU 69 HD13 LEU 69 1.934 5.915 -7.187 559 HD21 LEU 69 HD21 LEU 69 1.499 1.678 -7.078 560 HD22 LEU 69 HD22 LEU 69 1.129 2.583 -5.610 561 HD23 LEU 69 HD23 LEU 69 2.786 2.518 -6.213 562 H ARG 70 HN ARG 70 -1.984 3.865 -10.690 563 HA ARG 70 HA ARG 70 -4.167 5.641 -9.641 564 HB2 ARG 70 HB2 ARG 70 -3.734 4.424 -12.377 565 HB3 ARG 70 HB1 ARG 70 -5.173 5.332 -11.912 566 HG2 ARG 70 HG2 ARG 70 -3.815 7.303 -11.422 567 HG3 ARG 70 HG1 ARG 70 -2.344 6.399 -11.778 568 HD2 ARG 70 HD2 ARG 70 -2.963 7.756 -13.717 569 HD3 ARG 70 HD1 ARG 70 -3.151 6.045 -14.103 570 HE ARG 70 HE ARG 70 -5.627 7.094 -13.095 571 HH11 ARG 70 HH21 ARG 70 -3.497 7.126 -15.805 572 HH12 ARG 70 HH22 ARG 70 -4.755 7.430 -16.956 573 HH21 ARG 70 HH11 ARG 70 -7.277 7.488 -14.577 574 HH22 ARG 70 HH12 ARG 70 -6.897 7.635 -16.261 575 H SER 71 HN SER 71 -6.162 4.797 -9.151 576 HA SER 71 HA SER 71 -7.730 3.204 -8.517 577 HB2 SER 71 HB2 SER 71 -8.246 1.575 -10.102 578 HB3 SER 71 HB1 SER 71 -7.334 2.725 -11.075 579 HG SER 71 HG SER 71 -6.813 0.218 -10.789 580 H VAL 72 HN VAL 72 -5.844 3.261 -6.687 581 HA VAL 72 HA VAL 72 -4.803 0.482 -6.309 582 HB VAL 72 HB VAL 72 -3.308 1.375 -4.684 583 HG11 VAL 72 HG11 VAL 72 -2.652 1.914 -6.978 584 HG12 VAL 72 HG12 VAL 72 -2.193 3.233 -5.899 585 HG13 VAL 72 HG13 VAL 72 -3.615 3.392 -6.929 586 HG21 VAL 72 HG21 VAL 72 -4.670 2.787 -3.349 587 HG22 VAL 72 HG22 VAL 72 -5.134 3.781 -4.728 588 HG23 VAL 72 HG23 VAL 72 -3.497 3.879 -4.082 589 H VAL 73 HN VAL 73 -5.168 -0.537 -4.222 590 HA VAL 73 HA VAL 73 -7.707 0.364 -2.886 591 HB VAL 73 HB VAL 73 -7.915 -1.728 -4.254 592 HG11 VAL 73 HG11 VAL 73 -5.523 -2.456 -3.737 593 HG12 VAL 73 HG12 VAL 73 -6.751 -3.718 -3.635 594 HG13 VAL 73 HG13 VAL 73 -6.122 -2.977 -2.163 595 HG21 VAL 73 HG21 VAL 73 -8.151 -2.135 -1.257 596 HG22 VAL 73 HG22 VAL 73 -9.045 -3.007 -2.502 597 HG23 VAL 73 HG23 VAL 73 -9.331 -1.285 -2.254 598 H VAL 74 HN VAL 74 -7.625 0.600 -0.723 599 HA VAL 74 HA VAL 74 -5.016 0.233 0.630 600 HB VAL 74 HB VAL 74 -7.624 1.469 1.563 601 HG11 VAL 74 HG11 VAL 74 -6.446 0.730 3.511 602 HG12 VAL 74 HG12 VAL 74 -6.074 2.446 3.344 603 HG13 VAL 74 HG13 VAL 74 -4.893 1.233 2.846 604 HG21 VAL 74 HG21 VAL 74 -5.001 2.653 0.597 605 HG22 VAL 74 HG22 VAL 74 -6.323 3.590 1.291 606 HG23 VAL 74 HG23 VAL 74 -6.553 2.737 -0.234 607 H GLY 75 HN GLY 75 -4.624 -1.349 2.183 608 HA2 GLY 75 HA2 GLY 75 -6.864 -3.258 2.758 609 HA3 GLY 75 HA1 GLY 75 -5.154 -3.685 2.746 610 H GLU 76 HN GLU 76 -7.238 -3.865 4.923 611 HA GLU 76 HA GLU 76 -6.343 -1.922 6.939 612 HB2 GLU 76 HB2 GLU 76 -8.679 -2.803 6.877 613 HB3 GLU 76 HB1 GLU 76 -8.054 -4.409 7.245 614 HG2 GLU 76 HG2 GLU 76 -7.127 -3.589 9.365 615 HG3 GLU 76 HG1 GLU 76 -7.697 -1.960 8.997 616 H TYR 77 HN TYR 77 -4.214 -2.270 7.529 617 HA TYR 77 HA TYR 77 -3.301 -5.059 8.058 618 HB2 TYR 77 HB2 TYR 77 -1.897 -3.553 6.660 619 HB3 TYR 77 HB1 TYR 77 -1.744 -2.462 8.036 620 HD1 TYR 77 HD1 TYR 77 -1.342 -6.109 7.237 621 HD2 TYR 77 HD2 TYR 77 0.140 -2.707 9.402 622 HE1 TYR 77 HE1 TYR 77 0.552 -7.469 8.081 623 HE2 TYR 77 HE2 TYR 77 2.032 -4.068 10.247 624 HH TYR 77 HH TYR 77 2.584 -7.360 9.098 625 H ASN 78 HN ASN 78 -4.200 -5.549 10.056 626 HA ASN 78 HA ASN 78 -4.581 -5.436 12.365 627 HB2 ASN 78 HB2 ASN 78 -1.734 -4.454 12.086 628 HB3 ASN 78 HB1 ASN 78 -2.484 -4.779 13.650 629 HD21 ASN 78 HD21 ASN 78 -0.255 -6.315 12.741 630 HD22 ASN 78 HD22 ASN 78 -0.781 -7.903 12.450 631 H ASP 79 HN ASP 79 -2.616 -3.006 13.457 632 HA ASP 79 HA ASP 79 -4.938 -1.210 13.818 633 HB2 ASP 79 HB2 ASP 79 -2.144 -1.245 14.982 634 HB3 ASP 79 HB1 ASP 79 -3.335 0.003 15.349 635 H ARG 80 HN ARG 80 -2.287 -1.478 11.702 636 HA ARG 80 HA ARG 80 -2.356 1.458 11.078 637 HB2 ARG 80 HB2 ARG 80 -0.257 -0.651 10.501 638 HB3 ARG 80 HB1 ARG 80 -0.191 1.009 9.906 639 HG2 ARG 80 HG2 ARG 80 -0.251 1.846 12.229 640 HG3 ARG 80 HG1 ARG 80 -0.307 0.186 12.821 641 HD2 ARG 80 HD2 ARG 80 1.923 1.271 11.082 642 HD3 ARG 80 HD1 ARG 80 1.998 1.203 12.843 643 HE ARG 80 HE ARG 80 1.316 -1.389 11.910 644 HH11 ARG 80 HH21 ARG 80 3.870 0.920 11.804 645 HH12 ARG 80 HH22 ARG 80 5.122 -0.272 11.702 646 HH21 ARG 80 HH11 ARG 80 2.931 -2.958 11.778 647 HH22 ARG 80 HH12 ARG 80 4.591 -2.471 11.688 648 H PHE 81 HN PHE 81 -2.243 2.016 8.785 649 HA PHE 81 HA PHE 81 -3.880 0.154 7.126 650 HB2 PHE 81 HB2 PHE 81 -3.226 3.107 6.862 651 HB3 PHE 81 HB1 PHE 81 -4.181 2.197 5.690 652 HD1 PHE 81 HD2 PHE 81 -6.369 1.223 6.337 653 HD2 PHE 81 HD1 PHE 81 -4.131 3.734 9.007 654 HE1 PHE 81 HE2 PHE 81 -8.389 1.529 7.740 655 HE2 PHE 81 HE1 PHE 81 -6.152 4.041 10.412 656 HZ PHE 81 HZ PHE 81 -8.281 2.937 9.778 657 H GLN 82 HN GLN 82 -3.194 -0.276 4.926 658 HA GLN 82 HA GLN 82 -0.352 0.381 4.271 659 HB2 GLN 82 HB2 GLN 82 -1.590 -2.382 4.394 660 HB3 GLN 82 HB1 GLN 82 -0.104 -2.035 3.511 661 HG2 GLN 82 HG2 GLN 82 -0.477 -1.363 6.435 662 HG3 GLN 82 HG1 GLN 82 0.239 -2.874 5.880 663 HE21 GLN 82 HE21 GLN 82 1.187 0.013 7.060 664 HE22 GLN 82 HE22 GLN 82 2.635 0.239 6.206 665 H VAL 83 HN VAL 83 0.081 0.251 1.969 666 HA VAL 83 HA VAL 83 -2.424 0.429 0.322 667 HB VAL 83 HB VAL 83 0.307 1.250 -0.652 668 HG11 VAL 83 HG11 VAL 83 -0.960 2.828 -1.974 669 HG12 VAL 83 HG12 VAL 83 -2.440 2.432 -1.103 670 HG13 VAL 83 HG13 VAL 83 -1.691 1.236 -2.162 671 HG21 VAL 83 HG21 VAL 83 -1.489 2.900 1.143 672 HG22 VAL 83 HG22 VAL 83 -0.072 3.509 0.282 673 HG23 VAL 83 HG23 VAL 83 0.117 2.297 1.545 674 H GLN 84 HN GLN 84 -2.879 -1.470 -0.683 675 HA GLN 84 HA GLN 84 -0.622 -3.272 -1.492 676 HB2 GLN 84 HB2 GLN 84 -3.587 -3.727 -1.090 677 HB3 GLN 84 HB1 GLN 84 -2.535 -4.920 -1.850 678 HG2 GLN 84 HG2 GLN 84 -2.690 -5.453 0.505 679 HG3 GLN 84 HG1 GLN 84 -1.069 -4.832 0.191 680 HE21 GLN 84 HE21 GLN 84 -4.006 -2.805 0.394 681 HE22 GLN 84 HE22 GLN 84 -3.528 -1.970 1.792 682 H VAL 85 HN VAL 85 -0.203 -3.635 -3.634 683 HA VAL 85 HA VAL 85 -1.917 -2.213 -5.629 684 HB VAL 85 HB VAL 85 0.874 -3.353 -5.940 685 HG11 VAL 85 HG11 VAL 85 -0.394 -3.113 -8.039 686 HG12 VAL 85 HG12 VAL 85 0.919 -1.938 -7.955 687 HG13 VAL 85 HG13 VAL 85 -0.738 -1.432 -7.634 688 HG21 VAL 85 HG21 VAL 85 0.712 -1.500 -4.253 689 HG22 VAL 85 HG22 VAL 85 0.025 -0.473 -5.512 690 HG23 VAL 85 HG23 VAL 85 1.675 -1.074 -5.667 691 H ASN 86 HN ASN 86 -3.140 -3.411 -6.997 692 HA ASN 86 HA ASN 86 -2.594 -6.360 -7.207 693 HB2 ASN 86 HB2 ASN 86 -5.075 -6.566 -7.569 694 HB3 ASN 86 HB1 ASN 86 -4.625 -6.033 -5.950 695 HD21 ASN 86 HD21 ASN 86 -6.608 -4.841 -5.586 696 HD22 ASN 86 HD22 ASN 86 -6.972 -3.419 -6.439 697 H LYS 87 HN LYS 87 -4.123 -7.105 -9.207 698 HA LYS 87 HA LYS 87 -2.788 -6.217 -11.562 699 HB2 LYS 87 HB2 LYS 87 -3.922 -8.424 -11.284 700 HB3 LYS 87 HB1 LYS 87 -5.479 -7.598 -11.364 701 HG2 LYS 87 HG2 LYS 87 -4.963 -6.783 -13.612 702 HG3 LYS 87 HG1 LYS 87 -3.365 -7.528 -13.536 703 HD2 LYS 87 HD2 LYS 87 -4.425 -9.751 -13.275 704 HD3 LYS 87 HD1 LYS 87 -6.015 -8.997 -13.395 705 HE2 LYS 87 HE2 LYS 87 -3.868 -8.901 -15.535 706 HE3 LYS 87 HE1 LYS 87 -5.296 -9.935 -15.569 707 HZ1 LYS 87 HZ1 LYS 87 -5.060 -7.085 -16.047 708 HZ2 LYS 87 HZ2 LYS 87 -6.403 -7.557 -15.121 709 HZ3 LYS 87 HZ3 LYS 87 -6.169 -8.203 -16.674 710 H ASN 88 HN ASN 88 -5.995 -5.373 -10.249 711 HA ASN 88 HA ASN 88 -6.801 -3.735 -12.462 712 HB2 ASN 88 HB2 ASN 88 -7.596 -3.718 -9.542 713 HB3 ASN 88 HB1 ASN 88 -8.370 -2.708 -10.763 714 HD21 ASN 88 HD21 ASN 88 -9.807 -4.746 -9.339 715 HD22 ASN 88 HD22 ASN 88 -10.251 -5.954 -10.446 716 H SER 89 HN SER 89 -4.255 -3.306 -10.387 717 HA SER 89 HA SER 89 -4.470 -0.361 -10.174 718 HB2 SER 89 HB2 SER 89 -2.130 -2.107 -9.391 719 HB3 SER 89 HB1 SER 89 -2.490 -0.475 -8.833 720 HG SER 89 HG SER 89 -3.171 -1.954 -7.286 721 H SER 90 HN SER 90 -2.668 1.006 -10.998 722 HA SER 90 HA SER 90 -1.252 -0.158 -13.373 723 HB2 SER 90 HB2 SER 90 -3.280 1.146 -14.082 724 HB3 SER 90 HB1 SER 90 -2.604 2.559 -13.276 725 HG SER 90 HG SER 90 -1.370 1.063 -15.358 726 H ILE 91 HN ILE 91 0.809 0.929 -13.826 727 HA ILE 91 HA ILE 91 1.704 2.884 -11.763 728 HB ILE 91 HB ILE 91 3.190 0.395 -12.639 729 HG12 ILE 91 HG12 ILE 91 2.271 1.254 -9.877 730 HG13 ILE 91 HG11 ILE 91 1.373 0.133 -10.902 731 HG21 ILE 91 HG21 ILE 91 4.022 2.792 -10.986 732 HG22 ILE 91 HG22 ILE 91 4.802 2.150 -12.431 733 HG23 ILE 91 HG23 ILE 91 4.874 1.249 -10.918 734 HD11 ILE 91 HD11 ILE 91 4.241 -0.265 -10.017 735 HD12 ILE 91 HD12 ILE 91 3.270 -1.402 -10.950 736 HD13 ILE 91 HD13 ILE 91 2.844 -1.047 -9.276 737 H GLU 92 HN GLU 92 2.674 4.618 -12.759 738 HA GLU 92 HA GLU 92 3.869 4.193 -15.487 739 HB2 GLU 92 HB2 GLU 92 2.426 6.716 -14.643 740 HB3 GLU 92 HB1 GLU 92 2.897 6.217 -16.268 741 HG2 GLU 92 HG2 GLU 92 1.312 4.309 -16.119 742 HG3 GLU 92 HG1 GLU 92 0.810 4.883 -14.526 743 H LYS 93 HN LYS 93 5.882 5.094 -15.722 744 HA LYS 93 HA LYS 93 7.172 6.223 -13.352 745 HB2 LYS 93 HB2 LYS 93 8.363 4.697 -14.902 746 HB3 LYS 93 HB1 LYS 93 8.205 5.894 -16.187 747 HG2 LYS 93 HG2 LYS 93 9.509 7.509 -14.850 748 HG3 LYS 93 HG1 LYS 93 9.664 6.314 -13.560 749 HD2 LYS 93 HD2 LYS 93 10.837 4.792 -15.099 750 HD3 LYS 93 HD1 LYS 93 10.673 5.973 -16.398 751 HE2 LYS 93 HE2 LYS 93 12.892 6.186 -15.433 752 HE3 LYS 93 HE1 LYS 93 11.948 7.611 -15.000 753 HZ1 LYS 93 HZ1 LYS 93 13.287 6.297 -13.205 754 HZ2 LYS 93 HZ2 LYS 93 11.908 5.304 -13.196 755 HZ3 LYS 93 HZ3 LYS 93 11.769 6.959 -12.840 756 H LEU 94 HN LEU 94 7.393 8.376 -12.914 757 HA LEU 94 HA LEU 94 6.528 10.324 -15.023 758 HB2 LEU 94 HB2 LEU 94 6.472 10.320 -12.020 759 HB3 LEU 94 HB1 LEU 94 6.527 11.865 -12.863 760 HG LEU 94 HG LEU 94 4.196 11.010 -12.323 761 HD11 LEU 94 HD11 LEU 94 3.293 11.990 -14.203 762 HD12 LEU 94 HD12 LEU 94 4.370 11.146 -15.314 763 HD13 LEU 94 HD13 LEU 94 4.957 12.532 -14.395 764 HD21 LEU 94 HD21 LEU 94 3.304 9.140 -13.483 765 HD22 LEU 94 HD22 LEU 94 4.880 8.603 -12.906 766 HD23 LEU 94 HD23 LEU 94 4.662 9.070 -14.592 767 H SER 95 HN SER 95 7.890 11.783 -15.808 768 HA SER 95 HA SER 95 10.733 11.578 -15.132 769 HB2 SER 95 HB2 SER 95 9.464 13.595 -16.994 770 HB3 SER 95 HB1 SER 95 11.107 12.962 -17.033 771 HG SER 95 HG SER 95 10.373 11.081 -17.832 772 H GLU 96 HN GLU 96 8.161 13.236 -13.776 773 HA GLU 96 HA GLU 96 9.667 15.718 -13.259 774 HB2 GLU 96 HB2 GLU 96 7.209 15.757 -13.714 775 HB3 GLU 96 HB1 GLU 96 6.954 14.861 -12.215 776 HG2 GLU 96 HG2 GLU 96 7.896 16.643 -10.901 777 HG3 GLU 96 HG1 GLU 96 8.430 17.499 -12.347 778 HA PRO 97 HA PRO 97 11.117 13.700 -9.456 779 HB2 PRO 97 HB2 PRO 97 12.761 15.659 -8.540 780 HB3 PRO 97 HB1 PRO 97 13.195 14.630 -9.918 781 HG2 PRO 97 HG2 PRO 97 12.128 17.419 -9.901 782 HG3 PRO 97 HG1 PRO 97 13.389 16.702 -10.920 783 HD2 PRO 97 HD2 PRO 97 10.782 17.070 -11.753 784 HD3 PRO 97 HD1 PRO 97 11.857 15.826 -12.422 785 H ILE 98 HN ILE 98 10.405 13.715 -7.330 786 HA ILE 98 HA ILE 98 8.708 16.041 -6.465 787 HB ILE 98 HB ILE 98 8.563 13.128 -5.607 788 HG12 ILE 98 HG12 ILE 98 6.629 14.751 -7.285 789 HG13 ILE 98 HG11 ILE 98 7.861 13.700 -7.982 790 HG21 ILE 98 HG21 ILE 98 6.780 15.515 -5.004 791 HG22 ILE 98 HG22 ILE 98 7.826 14.697 -3.846 792 HG23 ILE 98 HG23 ILE 98 6.440 13.847 -4.531 793 HD11 ILE 98 HD11 ILE 98 5.560 12.889 -6.188 794 HD12 ILE 98 HD12 ILE 98 6.893 11.809 -6.602 795 HD13 ILE 98 HD13 ILE 98 5.829 12.421 -7.867 796 H GLU 99 HN GLU 99 9.107 16.951 -4.432 797 HA GLU 99 HA GLU 99 11.677 16.945 -3.352 798 HB2 GLU 99 HB2 GLU 99 10.282 17.533 -1.113 799 HB3 GLU 99 HB1 GLU 99 10.420 18.674 -2.447 800 HG2 GLU 99 HG2 GLU 99 8.181 16.651 -2.412 801 HG3 GLU 99 HG1 GLU 99 8.048 18.139 -1.477 802 H VAL 100 HN VAL 100 9.131 15.631 -1.251 803 HA VAL 100 HA VAL 100 9.394 13.958 0.393 804 HB VAL 100 HB VAL 100 9.436 11.707 -0.721 805 HG11 VAL 100 HG11 VAL 100 7.371 12.300 -2.206 806 HG12 VAL 100 HG12 VAL 100 7.617 13.942 -1.618 807 HG13 VAL 100 HG13 VAL 100 7.290 12.637 -0.478 808 HG21 VAL 100 HG21 VAL 100 9.517 11.586 -3.125 809 HG22 VAL 100 HG22 VAL 100 10.975 12.415 -2.592 810 HG23 VAL 100 HG23 VAL 100 9.627 13.327 -3.278 811 H GLY 101 HN GLY 101 11.833 15.365 0.057 812 HA2 GLY 101 HA2 GLY 101 14.004 15.078 0.969 813 HA3 GLY 101 HA1 GLY 101 13.721 13.333 1.016 814 H LEU 102 HN LEU 102 14.420 16.017 -1.237 815 HA LEU 102 HA LEU 102 15.475 14.018 -3.201 816 HB2 LEU 102 HB2 LEU 102 13.677 15.800 -3.832 817 HB3 LEU 102 HB1 LEU 102 15.015 16.946 -3.788 818 HG LEU 102 HG LEU 102 14.966 14.408 -5.454 819 HD11 LEU 102 HD11 LEU 102 14.739 16.009 -7.365 820 HD12 LEU 102 HD12 LEU 102 14.500 17.309 -6.197 821 HD13 LEU 102 HD13 LEU 102 13.332 15.992 -6.299 822 HD21 LEU 102 HD21 LEU 102 16.897 15.788 -6.601 823 HD22 LEU 102 HD22 LEU 102 17.242 14.886 -5.128 824 HD23 LEU 102 HD23 LEU 102 16.973 16.626 -5.049 825 H GLU 103 HN GLU 103 17.591 13.726 -2.891 826 HA GLU 103 HA GLU 103 19.827 14.173 -2.283 827 HB2 GLU 103 HB2 GLU 103 19.683 14.897 -4.638 828 HB3 GLU 103 HB1 GLU 103 19.233 16.519 -4.112 829 HG2 GLU 103 HG2 GLU 103 21.376 16.769 -2.952 830 HG3 GLU 103 HG1 GLU 103 21.822 15.116 -3.378 831 H HIS 104 HN HIS 104 19.257 17.608 -2.690 832 HA HIS 104 HA HIS 104 19.661 19.359 -1.182 833 HB2 HIS 104 HB2 HIS 104 17.385 18.391 -0.462 834 HB3 HIS 104 HB1 HIS 104 18.267 17.597 0.843 835 HD1 HIS 104 HD1 HIS 104 19.287 19.108 2.697 836 HD2 HIS 104 HD2 HIS 104 17.191 21.222 -0.222 837 HE1 HIS 104 HE1 HIS 104 18.989 21.459 3.590 838 H HIS 105 HN HIS 105 21.377 16.722 -1.157 839 HA HIS 105 HA HIS 105 22.493 16.411 1.442 840 HB2 HIS 105 HB2 HIS 105 23.706 16.036 -1.312 841 HB3 HIS 105 HB1 HIS 105 24.513 15.554 0.181 842 HD1 HIS 105 HD1 HIS 105 23.065 13.796 -2.287 843 HD2 HIS 105 HD2 HIS 105 21.936 14.152 1.710 844 HE1 HIS 105 HE1 HIS 105 21.653 11.762 -1.757 845 H HIS 106 HN HIS 106 23.324 18.619 -1.221 846 HA HIS 106 HA HIS 106 24.802 20.316 0.744 847 HB2 HIS 106 HB2 HIS 106 25.818 19.478 -1.989 848 HB3 HIS 106 HB1 HIS 106 26.570 20.702 -0.964 849 HD1 HIS 106 HD1 HIS 106 27.046 19.705 1.626 850 HD2 HIS 106 HD2 HIS 106 26.887 16.978 -1.524 851 HE1 HIS 106 HE1 HIS 106 28.202 17.603 2.439 852 H HIS 107 HN HIS 107 24.564 22.503 0.385 853 HA HIS 107 HA HIS 107 22.315 23.386 -1.156 854 HB2 HIS 107 HB2 HIS 107 23.203 24.550 0.862 855 HB3 HIS 107 HB1 HIS 107 24.623 25.025 -0.068 856 HD1 HIS 107 HD1 HIS 107 24.345 26.891 -1.812 857 HD2 HIS 107 HD2 HIS 107 20.779 25.884 0.095 858 HE1 HIS 107 HE1 HIS 107 22.669 28.684 -2.434 859 H HIS 108 HN HIS 108 25.824 23.596 -1.735 860 HA HIS 108 HA HIS 108 25.300 23.807 -4.640 861 HB2 HIS 108 HB2 HIS 108 25.333 26.159 -3.787 862 HB3 HIS 108 HB1 HIS 108 26.958 25.877 -3.164 863 HD1 HIS 108 HD1 HIS 108 25.099 25.656 -6.490 864 HD2 HIS 108 HD2 HIS 108 28.934 26.388 -5.029 865 HE1 HIS 108 HE1 HIS 108 26.527 26.250 -8.495 866 H HIS 109 HN HIS 109 27.266 23.015 -1.943 867 HA HIS 109 HA HIS 109 28.936 21.263 -3.495 868 HB2 HIS 109 HB2 HIS 109 30.014 23.369 -4.177 869 HB3 HIS 109 HB1 HIS 109 30.229 23.818 -2.485 870 HD1 HIS 109 HD1 HIS 109 31.253 21.036 -4.884 871 HD2 HIS 109 HD2 HIS 109 32.572 22.847 -1.368 872 HE1 HIS 109 HE1 HIS 109 33.521 20.032 -4.367 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -8.609 9.719 -16.147 2 H2 MET 1 HT2 MET 1 -7.030 10.348 -16.132 3 H3 MET 1 HT3 MET 1 -7.678 9.707 -17.566 4 HA MET 1 HA MET 1 -7.620 12.191 -17.443 5 HB2 MET 1 HB2 MET 1 -10.217 10.685 -17.826 6 HB3 MET 1 HB1 MET 1 -10.011 12.379 -18.268 7 HG2 MET 1 HG2 MET 1 -8.128 11.764 -19.751 8 HG3 MET 1 HG1 MET 1 -8.347 10.069 -19.323 9 HE1 MET 1 HE1 MET 1 -9.807 8.514 -20.335 10 HE2 MET 1 HE2 MET 1 -11.378 8.846 -21.058 11 HE3 MET 1 HE3 MET 1 -11.114 9.181 -19.349 12 H GLU 2 HN GLU 2 -7.277 13.122 -15.415 13 HA GLU 2 HA GLU 2 -7.876 14.336 -13.525 14 HB2 GLU 2 HB2 GLU 2 -9.814 14.961 -15.207 15 HB3 GLU 2 HB1 GLU 2 -10.803 13.961 -14.141 16 HG2 GLU 2 HG2 GLU 2 -9.123 16.347 -13.300 17 HG3 GLU 2 HG1 GLU 2 -10.882 16.309 -13.412 18 HA PRO 3 HA PRO 3 -9.156 10.251 -11.587 19 HB2 PRO 3 HB2 PRO 3 -6.736 9.557 -10.513 20 HB3 PRO 3 HB1 PRO 3 -7.219 9.116 -12.164 21 HG2 PRO 3 HG2 PRO 3 -5.443 11.337 -11.244 22 HG3 PRO 3 HG1 PRO 3 -5.268 10.261 -12.641 23 HD2 PRO 3 HD2 PRO 3 -6.232 12.830 -12.837 24 HD3 PRO 3 HD1 PRO 3 -6.682 11.535 -13.966 25 H GLN 4 HN GLN 4 -9.343 9.838 -9.278 26 HA GLN 4 HA GLN 4 -9.397 12.305 -7.724 27 HB2 GLN 4 HB2 GLN 4 -11.179 10.576 -7.552 28 HB3 GLN 4 HB1 GLN 4 -9.997 9.450 -6.886 29 HG2 GLN 4 HG2 GLN 4 -11.266 10.486 -5.067 30 HG3 GLN 4 HG1 GLN 4 -9.590 11.035 -5.003 31 HE21 GLN 4 HE21 GLN 4 -9.930 13.135 -4.123 32 HE22 GLN 4 HE22 GLN 4 -10.839 14.336 -4.904 33 H LEU 5 HN LEU 5 -7.525 13.047 -6.848 34 HA LEU 5 HA LEU 5 -5.371 11.167 -6.107 35 HB2 LEU 5 HB2 LEU 5 -5.485 14.191 -5.883 36 HB3 LEU 5 HB1 LEU 5 -4.044 13.178 -5.770 37 HG LEU 5 HG LEU 5 -5.827 13.411 -8.213 38 HD11 LEU 5 HD11 LEU 5 -4.548 15.463 -7.833 39 HD12 LEU 5 HD12 LEU 5 -3.867 14.581 -9.201 40 HD13 LEU 5 HD13 LEU 5 -3.067 14.526 -7.631 41 HD21 LEU 5 HD21 LEU 5 -3.676 12.253 -9.206 42 HD22 LEU 5 HD22 LEU 5 -4.871 11.270 -8.366 43 HD23 LEU 5 HD23 LEU 5 -3.392 11.757 -7.536 44 H THR 6 HN THR 6 -5.032 10.507 -4.064 45 HA THR 6 HA THR 6 -6.369 11.982 -1.811 46 HB THR 6 HB THR 6 -5.963 8.991 -2.100 47 HG1 THR 6 HG1 THR 6 -7.649 9.870 -3.374 48 HG21 THR 6 HG21 THR 6 -7.419 8.989 -0.025 49 HG22 THR 6 HG22 THR 6 -7.141 10.728 0.078 50 HG23 THR 6 HG23 THR 6 -5.785 9.609 0.216 51 H LYS 7 HN LYS 7 -5.115 12.361 -0.021 52 HA LYS 7 HA LYS 7 -2.217 11.883 -0.326 53 HB2 LYS 7 HB2 LYS 7 -3.751 13.389 1.812 54 HB3 LYS 7 HB1 LYS 7 -2.012 13.446 1.539 55 HG2 LYS 7 HG2 LYS 7 -4.073 14.273 -0.523 56 HG3 LYS 7 HG1 LYS 7 -3.261 15.402 0.561 57 HD2 LYS 7 HD2 LYS 7 -1.056 14.379 -0.367 58 HD3 LYS 7 HD1 LYS 7 -2.069 13.738 -1.659 59 HE2 LYS 7 HE2 LYS 7 -1.269 15.824 -2.461 60 HE3 LYS 7 HE1 LYS 7 -2.938 16.113 -1.974 61 HZ1 LYS 7 HZ1 LYS 7 -0.604 17.339 -1.015 62 HZ2 LYS 7 HZ2 LYS 7 -1.317 16.480 0.266 63 HZ3 LYS 7 HZ3 LYS 7 -2.213 17.651 -0.580 64 H ILE 8 HN ILE 8 -1.002 10.667 1.092 65 HA ILE 8 HA ILE 8 -2.082 8.376 2.287 66 HB ILE 8 HB ILE 8 0.097 8.400 3.663 67 HG12 ILE 8 HG12 ILE 8 0.552 10.869 1.961 68 HG13 ILE 8 HG11 ILE 8 0.319 10.877 3.705 69 HG21 ILE 8 HG21 ILE 8 1.455 7.928 1.696 70 HG22 ILE 8 HG22 ILE 8 0.332 8.816 0.671 71 HG23 ILE 8 HG23 ILE 8 -0.175 7.308 1.430 72 HD11 ILE 8 HD11 ILE 8 2.695 10.970 3.206 73 HD12 ILE 8 HD12 ILE 8 2.573 9.515 2.216 74 HD13 ILE 8 HD13 ILE 8 2.311 9.424 3.959 75 H VAL 9 HN VAL 9 -1.400 11.515 3.744 76 HA VAL 9 HA VAL 9 -2.181 10.774 6.423 77 HB VAL 9 HB VAL 9 -0.739 12.735 5.889 78 HG11 VAL 9 HG11 VAL 9 -2.167 13.361 3.862 79 HG12 VAL 9 HG12 VAL 9 -1.631 14.698 4.878 80 HG13 VAL 9 HG13 VAL 9 -3.285 14.102 5.005 81 HG21 VAL 9 HG21 VAL 9 -1.665 14.183 7.563 82 HG22 VAL 9 HG22 VAL 9 -2.134 12.544 8.012 83 HG23 VAL 9 HG23 VAL 9 -3.303 13.615 7.240 84 H ASP 10 HN ASP 10 -3.960 11.292 3.593 85 HA ASP 10 HA ASP 10 -6.422 12.150 5.028 86 HB2 ASP 10 HB2 ASP 10 -5.828 13.243 2.875 87 HB3 ASP 10 HB1 ASP 10 -5.934 11.679 2.070 88 H ILE 11 HN ILE 11 -4.877 9.327 4.660 89 HA ILE 11 HA ILE 11 -7.156 7.685 3.759 90 HB ILE 11 HB ILE 11 -4.380 6.971 4.758 91 HG12 ILE 11 HG12 ILE 11 -5.620 6.731 1.997 92 HG13 ILE 11 HG11 ILE 11 -4.597 8.076 2.501 93 HG21 ILE 11 HG21 ILE 11 -5.005 4.680 3.831 94 HG22 ILE 11 HG22 ILE 11 -6.677 5.240 3.817 95 HG23 ILE 11 HG23 ILE 11 -5.797 5.132 5.340 96 HD11 ILE 11 HD11 ILE 11 -2.832 6.340 3.115 97 HD12 ILE 11 HD12 ILE 11 -3.152 6.515 1.389 98 HD13 ILE 11 HD13 ILE 11 -3.836 5.157 2.280 99 H VAL 12 HN VAL 12 -8.725 7.115 5.175 100 HA VAL 12 HA VAL 12 -7.972 6.336 7.928 101 HB VAL 12 HB VAL 12 -9.979 7.718 8.781 102 HG11 VAL 12 HG11 VAL 12 -7.523 9.175 7.755 103 HG12 VAL 12 HG12 VAL 12 -7.584 8.225 9.239 104 HG13 VAL 12 HG13 VAL 12 -8.554 9.691 9.090 105 HG21 VAL 12 HG21 VAL 12 -10.662 9.612 7.483 106 HG22 VAL 12 HG22 VAL 12 -10.731 8.240 6.378 107 HG23 VAL 12 HG23 VAL 12 -9.374 9.363 6.307 108 H GLU 13 HN GLU 13 -9.442 5.543 5.173 109 HA GLU 13 HA GLU 13 -11.447 3.797 6.560 110 HB2 GLU 13 HB2 GLU 13 -11.798 5.347 3.980 111 HB3 GLU 13 HB1 GLU 13 -12.871 4.041 4.487 112 HG2 GLU 13 HG2 GLU 13 -13.430 5.245 6.538 113 HG3 GLU 13 HG1 GLU 13 -12.289 6.524 6.129 114 H ASN 14 HN ASN 14 -11.115 1.678 6.112 115 HA ASN 14 HA ASN 14 -9.102 0.947 4.091 116 HB2 ASN 14 HB2 ASN 14 -8.880 -0.152 6.215 117 HB3 ASN 14 HB1 ASN 14 -10.583 -0.613 6.226 118 HD21 ASN 14 HD21 ASN 14 -8.493 -0.830 3.352 119 HD22 ASN 14 HD22 ASN 14 -8.528 -2.522 3.260 120 H GLY 15 HN GLY 15 -9.524 -0.506 2.365 121 HA2 GLY 15 HA2 GLY 15 -10.828 -1.690 0.811 122 HA3 GLY 15 HA1 GLY 15 -12.231 -1.461 1.857 123 H GLN 16 HN GLN 16 -10.336 1.317 1.042 124 HA GLN 16 HA GLN 16 -12.585 2.317 -0.656 125 HB2 GLN 16 HB2 GLN 16 -11.669 4.557 -0.163 126 HB3 GLN 16 HB1 GLN 16 -12.038 3.674 1.317 127 HG2 GLN 16 HG2 GLN 16 -9.659 2.993 1.481 128 HG3 GLN 16 HG1 GLN 16 -9.299 3.952 0.047 129 HE21 GLN 16 HE21 GLN 16 -11.219 6.120 0.824 130 HE22 GLN 16 HE22 GLN 16 -10.474 6.951 2.103 131 H TRP 17 HN TRP 17 -12.101 3.406 -2.623 132 HA TRP 17 HA TRP 17 -9.566 2.490 -3.916 133 HB2 TRP 17 HB2 TRP 17 -12.247 3.353 -5.042 134 HB3 TRP 17 HB1 TRP 17 -10.828 3.032 -6.040 135 HD1 TRP 17 HD1 TRP 17 -13.574 1.322 -4.127 136 HE1 TRP 17 HE1 TRP 17 -13.357 -1.233 -4.401 137 HE3 TRP 17 HE3 TRP 17 -8.983 1.062 -6.342 138 HZ2 TRP 17 HZ2 TRP 17 -11.481 -3.135 -5.429 139 HZ3 TRP 17 HZ3 TRP 17 -8.005 -1.129 -6.959 140 HH2 TRP 17 HH2 TRP 17 -9.247 -3.227 -6.506 141 H ALA 18 HN ALA 18 -8.097 3.972 -4.556 142 HA ALA 18 HA ALA 18 -8.836 6.732 -5.150 143 HB1 ALA 18 HB1 ALA 18 -7.078 6.187 -2.745 144 HB2 ALA 18 HB2 ALA 18 -8.731 6.801 -2.685 145 HB3 ALA 18 HB3 ALA 18 -7.457 7.771 -3.421 146 H ASN 19 HN ASN 19 -6.614 8.033 -5.392 147 HA ASN 19 HA ASN 19 -4.640 6.208 -6.755 148 HB2 ASN 19 HB2 ASN 19 -5.388 9.046 -7.521 149 HB3 ASN 19 HB1 ASN 19 -4.242 7.999 -8.361 150 HD21 ASN 19 HD21 ASN 19 -7.488 8.966 -8.336 151 HD22 ASN 19 HD22 ASN 19 -8.134 7.691 -9.250 152 H LEU 20 HN LEU 20 -2.435 6.671 -6.378 153 HA LEU 20 HA LEU 20 -1.841 8.971 -4.577 154 HB2 LEU 20 HB2 LEU 20 -2.041 6.976 -3.153 155 HB3 LEU 20 HB1 LEU 20 -0.900 6.108 -4.182 156 HG LEU 20 HG LEU 20 0.871 7.731 -3.623 157 HD11 LEU 20 HD11 LEU 20 -0.135 9.799 -3.245 158 HD12 LEU 20 HD12 LEU 20 0.200 9.301 -1.591 159 HD13 LEU 20 HD13 LEU 20 -1.425 9.119 -2.255 160 HD21 LEU 20 HD21 LEU 20 -0.514 6.767 -1.108 161 HD22 LEU 20 HD22 LEU 20 1.206 7.090 -1.318 162 HD23 LEU 20 HD23 LEU 20 0.455 5.736 -2.163 163 H LYS 21 HN LYS 21 -0.035 10.047 -5.143 164 HA LYS 21 HA LYS 21 1.822 8.810 -7.155 165 HB2 LYS 21 HB2 LYS 21 0.479 10.696 -8.062 166 HB3 LYS 21 HB1 LYS 21 1.116 11.736 -6.790 167 HG2 LYS 21 HG2 LYS 21 3.381 11.447 -7.602 168 HG3 LYS 21 HG1 LYS 21 2.845 10.247 -8.776 169 HD2 LYS 21 HD2 LYS 21 3.139 12.374 -9.926 170 HD3 LYS 21 HD1 LYS 21 1.418 12.007 -9.853 171 HE2 LYS 21 HE2 LYS 21 1.032 13.595 -8.152 172 HE3 LYS 21 HE1 LYS 21 2.742 13.693 -7.731 173 HZ1 LYS 21 HZ1 LYS 21 1.271 14.995 -9.864 174 HZ2 LYS 21 HZ2 LYS 21 2.815 14.420 -10.282 175 HZ3 LYS 21 HZ3 LYS 21 2.633 15.523 -9.003 176 H ALA 22 HN ALA 22 3.902 8.720 -6.543 177 HA ALA 22 HA ALA 22 5.174 10.600 -4.768 178 HB1 ALA 22 HB1 ALA 22 4.337 7.953 -3.557 179 HB2 ALA 22 HB2 ALA 22 3.858 9.561 -3.021 180 HB3 ALA 22 HB3 ALA 22 5.529 9.034 -2.830 181 H LYS 23 HN LYS 23 7.135 9.316 -3.724 182 HA LYS 23 HA LYS 23 8.490 7.811 -5.972 183 HB2 LYS 23 HB2 LYS 23 10.632 8.797 -5.183 184 HB3 LYS 23 HB1 LYS 23 9.481 10.003 -5.755 185 HG2 LYS 23 HG2 LYS 23 8.917 10.684 -3.560 186 HG3 LYS 23 HG1 LYS 23 9.648 9.257 -2.830 187 HD2 LYS 23 HD2 LYS 23 11.138 11.124 -2.475 188 HD3 LYS 23 HD1 LYS 23 11.878 10.055 -3.666 189 HE2 LYS 23 HE2 LYS 23 11.250 11.490 -5.478 190 HE3 LYS 23 HE1 LYS 23 10.192 12.444 -4.438 191 HZ1 LYS 23 HZ1 LYS 23 11.994 13.383 -3.339 192 HZ2 LYS 23 HZ2 LYS 23 12.483 13.373 -4.967 193 HZ3 LYS 23 HZ3 LYS 23 13.082 12.204 -3.891 194 H VAL 24 HN VAL 24 10.069 6.210 -5.393 195 HA VAL 24 HA VAL 24 9.300 4.810 -2.900 196 HB VAL 24 HB VAL 24 11.082 4.008 -5.213 197 HG11 VAL 24 HG11 VAL 24 10.191 2.530 -2.724 198 HG12 VAL 24 HG12 VAL 24 11.840 2.802 -3.283 199 HG13 VAL 24 HG13 VAL 24 10.782 1.701 -4.164 200 HG21 VAL 24 HG21 VAL 24 8.824 4.074 -5.958 201 HG22 VAL 24 HG22 VAL 24 8.218 3.424 -4.434 202 HG23 VAL 24 HG23 VAL 24 9.114 2.386 -5.541 203 H ILE 25 HN ILE 25 10.325 5.604 -1.153 204 HA ILE 25 HA ILE 25 13.027 6.666 -1.209 205 HB ILE 25 HB ILE 25 12.803 6.696 1.269 206 HG12 ILE 25 HG12 ILE 25 10.036 5.572 0.754 207 HG13 ILE 25 HG11 ILE 25 11.379 4.598 1.350 208 HG21 ILE 25 HG21 ILE 25 10.583 7.786 -0.468 209 HG22 ILE 25 HG22 ILE 25 12.006 8.635 0.134 210 HG23 ILE 25 HG23 ILE 25 10.707 8.194 1.243 211 HD11 ILE 25 HD11 ILE 25 10.168 5.297 3.285 212 HD12 ILE 25 HD12 ILE 25 10.060 6.956 2.698 213 HD13 ILE 25 HD13 ILE 25 11.612 6.309 3.227 214 H GLN 26 HN GLN 26 11.648 3.508 -0.658 215 HA GLN 26 HA GLN 26 14.314 2.329 -0.698 216 HB2 GLN 26 HB2 GLN 26 13.992 2.947 1.710 217 HB3 GLN 26 HB1 GLN 26 12.558 1.921 1.739 218 HG2 GLN 26 HG2 GLN 26 14.434 0.656 2.602 219 HG3 GLN 26 HG1 GLN 26 13.990 -0.014 1.037 220 HE21 GLN 26 HE21 GLN 26 16.024 2.805 2.036 221 HE22 GLN 26 HE22 GLN 26 17.362 2.357 1.093 222 H LEU 27 HN LEU 27 14.217 0.126 -1.200 223 HA LEU 27 HA LEU 27 11.498 -1.030 -1.729 224 HB2 LEU 27 HB2 LEU 27 12.267 -1.947 -3.801 225 HB3 LEU 27 HB1 LEU 27 12.770 -0.260 -3.799 226 HG LEU 27 HG LEU 27 14.551 -2.623 -3.082 227 HD11 LEU 27 HD11 LEU 27 14.722 -0.777 -5.451 228 HD12 LEU 27 HD12 LEU 27 13.928 -2.353 -5.496 229 HD13 LEU 27 HD13 LEU 27 15.653 -2.241 -5.142 230 HD21 LEU 27 HD21 LEU 27 15.425 -0.860 -1.819 231 HD22 LEU 27 HD22 LEU 27 14.905 0.371 -2.971 232 HD23 LEU 27 HD23 LEU 27 16.297 -0.654 -3.336 233 H TRP 28 HN TRP 28 11.330 -3.311 -1.509 234 HA TRP 28 HA TRP 28 13.687 -4.737 -0.412 235 HB2 TRP 28 HB2 TRP 28 11.826 -3.651 1.314 236 HB3 TRP 28 HB1 TRP 28 11.176 -5.273 1.092 237 HD1 TRP 28 HD1 TRP 28 13.716 -3.389 2.966 238 HE1 TRP 28 HE1 TRP 28 15.313 -4.991 4.202 239 HE3 TRP 28 HE3 TRP 28 12.470 -7.784 0.704 240 HZ2 TRP 28 HZ2 TRP 28 15.970 -7.774 4.226 241 HZ3 TRP 28 HZ3 TRP 28 13.594 -9.902 1.353 242 HH2 TRP 28 HH2 TRP 28 15.344 -9.898 3.106 243 H GLU 29 HN GLU 29 13.852 -6.501 -1.589 244 HA GLU 29 HA GLU 29 11.437 -7.675 -2.896 245 HB2 GLU 29 HB2 GLU 29 14.391 -8.256 -3.249 246 HB3 GLU 29 HB1 GLU 29 13.098 -9.063 -4.136 247 HG2 GLU 29 HG2 GLU 29 13.698 -7.340 -5.614 248 HG3 GLU 29 HG1 GLU 29 12.336 -6.624 -4.756 249 H ASN 30 HN ASN 30 10.443 -9.415 -2.035 250 HA ASN 30 HA ASN 30 12.022 -11.412 -0.520 251 HB2 ASN 30 HB2 ASN 30 10.642 -11.317 1.454 252 HB3 ASN 30 HB1 ASN 30 11.214 -9.681 1.138 253 HD21 ASN 30 HD21 ASN 30 8.708 -10.486 2.561 254 HD22 ASN 30 HD22 ASN 30 7.433 -9.787 1.685 255 H THR 31 HN THR 31 10.505 -13.310 0.086 256 HA THR 31 HA THR 31 8.113 -13.540 -1.625 257 HB THR 31 HB THR 31 9.726 -14.284 -3.215 258 HG1 THR 31 HG1 THR 31 8.301 -15.822 -3.411 259 HG21 THR 31 HG21 THR 31 11.678 -14.512 -1.863 260 HG22 THR 31 HG22 THR 31 11.372 -16.103 -2.561 261 HG23 THR 31 HG23 THR 31 10.935 -15.776 -0.884 262 H HIS 32 HN HIS 32 8.219 -13.430 1.117 263 HA HIS 32 HA HIS 32 8.523 -15.827 2.560 264 HB2 HIS 32 HB2 HIS 32 8.041 -13.602 3.571 265 HB3 HIS 32 HB1 HIS 32 6.393 -13.699 2.954 266 HD1 HIS 32 HD1 HIS 32 8.733 -15.615 5.267 267 HD2 HIS 32 HD2 HIS 32 4.651 -15.054 4.633 268 HE1 HIS 32 HE1 HIS 32 7.543 -16.815 7.154 269 H GLU 33 HN GLU 33 5.814 -14.712 0.565 270 HA GLU 33 HA GLU 33 4.916 -17.426 0.117 271 HB2 GLU 33 HB2 GLU 33 3.994 -17.046 2.400 272 HB3 GLU 33 HB1 GLU 33 3.098 -15.659 1.783 273 HG2 GLU 33 HG2 GLU 33 1.882 -17.116 0.214 274 HG3 GLU 33 HG1 GLU 33 2.818 -18.504 0.765 275 H SER 34 HN SER 34 2.424 -15.025 0.312 276 HA SER 34 HA SER 34 2.256 -14.956 -2.627 277 HB2 SER 34 HB2 SER 34 0.119 -13.836 -2.251 278 HB3 SER 34 HB1 SER 34 0.221 -15.238 -1.189 279 HG SER 34 HG SER 34 -0.419 -13.023 -0.328 280 H ILE 35 HN ILE 35 3.859 -13.184 -0.228 281 HA ILE 35 HA ILE 35 3.469 -10.549 -1.391 282 HB ILE 35 HB ILE 35 5.482 -11.606 0.622 283 HG12 ILE 35 HG12 ILE 35 3.010 -9.915 1.080 284 HG13 ILE 35 HG11 ILE 35 3.003 -11.672 1.223 285 HG21 ILE 35 HG21 ILE 35 4.788 -8.819 -0.329 286 HG22 ILE 35 HG22 ILE 35 6.364 -9.606 -0.374 287 HG23 ILE 35 HG23 ILE 35 5.660 -9.129 1.171 288 HD11 ILE 35 HD11 ILE 35 4.891 -9.864 2.757 289 HD12 ILE 35 HD12 ILE 35 4.665 -11.598 2.983 290 HD13 ILE 35 HD13 ILE 35 3.372 -10.478 3.408 291 H SER 36 HN SER 36 4.660 -9.676 -2.980 292 HA SER 36 HA SER 36 6.924 -11.268 -4.113 293 HB2 SER 36 HB2 SER 36 5.601 -8.880 -5.399 294 HB3 SER 36 HB1 SER 36 6.488 -10.194 -6.168 295 HG SER 36 HG SER 36 4.522 -11.278 -4.791 296 H GLN 37 HN GLN 37 6.069 -7.905 -3.216 297 HA GLN 37 HA GLN 37 8.920 -7.438 -2.548 298 HB2 GLN 37 HB2 GLN 37 8.559 -6.812 -4.975 299 HB3 GLN 37 HB1 GLN 37 7.400 -5.599 -4.424 300 HG2 GLN 37 HG2 GLN 37 9.153 -4.557 -3.037 301 HG3 GLN 37 HG1 GLN 37 10.315 -5.754 -3.610 302 HE21 GLN 37 HE21 GLN 37 11.674 -4.531 -4.965 303 HE22 GLN 37 HE22 GLN 37 11.125 -3.590 -6.265 304 H VAL 38 HN VAL 38 9.198 -5.760 -1.067 305 HA VAL 38 HA VAL 38 6.727 -4.400 -0.058 306 HB VAL 38 HB VAL 38 8.947 -5.284 1.795 307 HG11 VAL 38 HG11 VAL 38 5.985 -4.737 2.151 308 HG12 VAL 38 HG12 VAL 38 7.292 -3.634 2.579 309 HG13 VAL 38 HG13 VAL 38 7.108 -5.160 3.443 310 HG21 VAL 38 HG21 VAL 38 7.372 -7.251 2.313 311 HG22 VAL 38 HG22 VAL 38 8.325 -7.372 0.833 312 HG23 VAL 38 HG23 VAL 38 6.621 -6.915 0.753 313 H GLY 39 HN GLY 39 7.005 -2.213 0.122 314 HA2 GLY 39 HA2 GLY 39 9.704 -1.114 0.604 315 HA3 GLY 39 HA1 GLY 39 8.985 -0.705 -0.954 316 H LEU 40 HN LEU 40 9.232 1.499 0.013 317 HA LEU 40 HA LEU 40 6.750 2.249 1.516 318 HB2 LEU 40 HB2 LEU 40 9.527 3.354 2.005 319 HB3 LEU 40 HB1 LEU 40 8.046 3.880 2.805 320 HG LEU 40 HG LEU 40 7.882 1.218 3.336 321 HD11 LEU 40 HD11 LEU 40 10.857 1.710 3.523 322 HD12 LEU 40 HD12 LEU 40 10.141 0.948 2.109 323 HD13 LEU 40 HD13 LEU 40 9.985 0.188 3.690 324 HD21 LEU 40 HD21 LEU 40 9.437 3.338 4.837 325 HD22 LEU 40 HD22 LEU 40 9.068 1.757 5.525 326 HD23 LEU 40 HD23 LEU 40 7.760 2.855 5.084 327 H LEU 41 HN LEU 41 5.934 4.333 1.003 328 HA LEU 41 HA LEU 41 7.079 5.517 -1.508 329 HB2 LEU 41 HB2 LEU 41 4.253 5.710 -0.425 330 HB3 LEU 41 HB1 LEU 41 4.827 6.297 -1.985 331 HG LEU 41 HG LEU 41 4.870 3.396 -1.101 332 HD11 LEU 41 HD11 LEU 41 3.040 3.082 -2.689 333 HD12 LEU 41 HD12 LEU 41 3.085 4.793 -3.115 334 HD13 LEU 41 HD13 LEU 41 2.583 4.300 -1.497 335 HD21 LEU 41 HD21 LEU 41 5.227 3.184 -3.704 336 HD22 LEU 41 HD22 LEU 41 6.602 3.584 -2.679 337 HD23 LEU 41 HD23 LEU 41 5.781 4.857 -3.583 338 H GLY 42 HN GLY 42 7.960 7.464 -1.288 339 HA2 GLY 42 HA2 GLY 42 7.433 9.038 1.202 340 HA3 GLY 42 HA1 GLY 42 8.867 9.191 0.191 341 H ASP 43 HN ASP 43 6.187 10.816 1.014 342 HA ASP 43 HA ASP 43 6.019 12.200 -1.648 343 HB2 ASP 43 HB2 ASP 43 3.676 12.646 -1.226 344 HB3 ASP 43 HB1 ASP 43 3.941 10.909 -1.079 345 H GLU 44 HN GLU 44 4.079 13.962 0.034 346 HA GLU 44 HA GLU 44 6.208 15.636 1.337 347 HB2 GLU 44 HB2 GLU 44 5.272 16.587 -0.772 348 HB3 GLU 44 HB1 GLU 44 3.666 16.546 -0.046 349 HG2 GLU 44 HG2 GLU 44 4.410 18.053 1.740 350 HG3 GLU 44 HG1 GLU 44 6.042 18.064 1.071 351 H THR 45 HN THR 45 3.147 14.033 1.684 352 HA THR 45 HA THR 45 2.453 15.595 4.107 353 HB THR 45 HB THR 45 0.466 13.984 4.106 354 HG1 THR 45 HG1 THR 45 0.225 13.071 1.904 355 HG21 THR 45 HG21 THR 45 0.448 16.308 3.145 356 HG22 THR 45 HG22 THR 45 -0.676 15.201 2.353 357 HG23 THR 45 HG23 THR 45 0.856 15.606 1.578 358 H GLY 46 HN GLY 46 4.275 12.831 3.275 359 HA2 GLY 46 HA2 GLY 46 5.363 12.206 5.644 360 HA3 GLY 46 HA1 GLY 46 3.779 11.455 5.845 361 H ILE 47 HN ILE 47 4.450 9.316 5.798 362 HA ILE 47 HA ILE 47 5.371 8.311 3.148 363 HB ILE 47 HB ILE 47 6.577 7.225 5.701 364 HG12 ILE 47 HG12 ILE 47 7.724 9.426 3.947 365 HG13 ILE 47 HG11 ILE 47 7.116 9.652 5.587 366 HG21 ILE 47 HG21 ILE 47 8.271 6.379 4.165 367 HG22 ILE 47 HG22 ILE 47 7.549 7.272 2.828 368 HG23 ILE 47 HG23 ILE 47 6.679 5.925 3.560 369 HD11 ILE 47 HD11 ILE 47 9.517 8.050 4.701 370 HD12 ILE 47 HD12 ILE 47 8.787 7.844 6.294 371 HD13 ILE 47 HD13 ILE 47 9.466 9.404 5.830 372 H ILE 48 HN ILE 48 4.909 6.005 2.862 373 HA ILE 48 HA ILE 48 3.145 4.750 4.876 374 HB ILE 48 HB ILE 48 1.602 6.076 3.500 375 HG12 ILE 48 HG12 ILE 48 1.396 3.158 2.731 376 HG13 ILE 48 HG11 ILE 48 1.047 3.745 4.358 377 HG21 ILE 48 HG21 ILE 48 2.988 6.175 1.462 378 HG22 ILE 48 HG22 ILE 48 1.367 5.588 1.102 379 HG23 ILE 48 HG23 ILE 48 2.714 4.455 1.188 380 HD11 ILE 48 HD11 ILE 48 -0.283 4.845 1.872 381 HD12 ILE 48 HD12 ILE 48 -0.726 5.161 3.550 382 HD13 ILE 48 HD13 ILE 48 -0.979 3.559 2.856 383 H LYS 49 HN LYS 49 3.100 2.503 4.698 384 HA LYS 49 HA LYS 49 5.206 1.337 2.970 385 HB2 LYS 49 HB2 LYS 49 3.502 0.154 5.177 386 HB3 LYS 49 HB1 LYS 49 4.791 -0.701 4.332 387 HG2 LYS 49 HG2 LYS 49 6.426 0.926 5.111 388 HG3 LYS 49 HG1 LYS 49 5.156 1.875 5.882 389 HD2 LYS 49 HD2 LYS 49 4.612 -0.117 7.300 390 HD3 LYS 49 HD1 LYS 49 6.002 -0.944 6.597 391 HE2 LYS 49 HE2 LYS 49 6.181 1.723 8.017 392 HE3 LYS 49 HE1 LYS 49 6.480 0.174 8.805 393 HZ1 LYS 49 HZ1 LYS 49 8.298 1.674 7.407 394 HZ2 LYS 49 HZ2 LYS 49 7.906 0.404 6.349 395 HZ3 LYS 49 HZ3 LYS 49 8.493 0.065 7.907 396 H PHE 50 HN PHE 50 4.687 0.286 1.053 397 HA PHE 50 HA PHE 50 1.870 -0.692 0.728 398 HB2 PHE 50 HB2 PHE 50 1.897 0.040 -1.520 399 HB3 PHE 50 HB1 PHE 50 2.670 1.365 -0.655 400 HD1 PHE 50 HD1 PHE 50 5.310 1.160 -0.405 401 HD2 PHE 50 HD2 PHE 50 2.978 -0.863 -3.390 402 HE1 PHE 50 HE1 PHE 50 7.339 0.877 -1.803 403 HE2 PHE 50 HE2 PHE 50 5.002 -1.141 -4.780 404 HZ PHE 50 HZ PHE 50 7.185 -0.287 -3.992 405 H THR 51 HN THR 51 1.657 -2.626 -0.469 406 HA THR 51 HA THR 51 4.167 -4.217 -0.873 407 HB THR 51 HB THR 51 1.581 -5.204 0.368 408 HG1 THR 51 HG1 THR 51 4.119 -5.108 1.576 409 HG21 THR 51 HG21 THR 51 2.647 -6.940 -0.945 410 HG22 THR 51 HG22 THR 51 2.964 -7.261 0.761 411 HG23 THR 51 HG23 THR 51 4.221 -6.549 -0.251 412 H ILE 52 HN ILE 52 4.250 -5.262 -2.790 413 HA ILE 52 HA ILE 52 1.862 -5.101 -4.565 414 HB ILE 52 HB ILE 52 4.771 -5.669 -5.181 415 HG12 ILE 52 HG12 ILE 52 3.103 -3.229 -5.850 416 HG13 ILE 52 HG11 ILE 52 4.146 -3.320 -4.432 417 HG21 ILE 52 HG21 ILE 52 3.960 -5.252 -7.551 418 HG22 ILE 52 HG22 ILE 52 2.316 -5.383 -6.927 419 HG23 ILE 52 HG23 ILE 52 3.411 -6.763 -6.827 420 HD11 ILE 52 HD11 ILE 52 5.350 -4.035 -7.084 421 HD12 ILE 52 HD12 ILE 52 6.088 -3.257 -5.683 422 HD13 ILE 52 HD13 ILE 52 5.036 -2.332 -6.751 423 H TRP 53 HN TRP 53 0.720 -6.897 -5.001 424 HA TRP 53 HA TRP 53 1.603 -9.469 -3.925 425 HB2 TRP 53 HB2 TRP 53 -0.853 -8.699 -5.530 426 HB3 TRP 53 HB1 TRP 53 -0.598 -10.259 -4.746 427 HD1 TRP 53 HD1 TRP 53 -2.106 -6.995 -4.127 428 HE1 TRP 53 HE1 TRP 53 -2.531 -6.624 -1.612 429 HE3 TRP 53 HE3 TRP 53 0.698 -10.795 -2.195 430 HZ2 TRP 53 HZ2 TRP 53 -1.774 -7.786 0.892 431 HZ3 TRP 53 HZ3 TRP 53 0.833 -11.139 0.255 432 HH2 TRP 53 HH2 TRP 53 -0.398 -9.641 1.800 433 H LYS 54 HN LYS 54 2.227 -11.260 -5.114 434 HA LYS 54 HA LYS 54 3.560 -10.925 -7.592 435 HB2 LYS 54 HB2 LYS 54 3.729 -12.836 -5.839 436 HB3 LYS 54 HB1 LYS 54 2.365 -13.556 -6.692 437 HG2 LYS 54 HG2 LYS 54 3.631 -13.585 -8.777 438 HG3 LYS 54 HG1 LYS 54 4.979 -12.751 -8.001 439 HD2 LYS 54 HD2 LYS 54 5.257 -14.650 -6.444 440 HD3 LYS 54 HD1 LYS 54 3.920 -15.488 -7.233 441 HE2 LYS 54 HE2 LYS 54 5.158 -15.500 -9.356 442 HE3 LYS 54 HE1 LYS 54 6.490 -14.631 -8.596 443 HZ1 LYS 54 HZ1 LYS 54 5.573 -17.114 -7.348 444 HZ2 LYS 54 HZ2 LYS 54 7.136 -16.448 -7.419 445 HZ3 LYS 54 HZ3 LYS 54 6.482 -17.235 -8.775 446 H ASN 55 HN ASN 55 0.256 -11.960 -6.867 447 HA ASN 55 HA ASN 55 -0.478 -12.822 -9.468 448 HB2 ASN 55 HB2 ASN 55 -2.825 -12.199 -8.704 449 HB3 ASN 55 HB1 ASN 55 -1.949 -13.295 -7.634 450 HD21 ASN 55 HD21 ASN 55 -2.139 -9.704 -8.074 451 HD22 ASN 55 HD22 ASN 55 -2.284 -9.370 -6.416 452 H ALA 56 HN ALA 56 0.515 -9.764 -8.502 453 HA ALA 56 HA ALA 56 -1.208 -8.274 -10.388 454 HB1 ALA 56 HB1 ALA 56 -0.297 -7.422 -8.101 455 HB2 ALA 56 HB2 ALA 56 -0.252 -6.321 -9.477 456 HB3 ALA 56 HB3 ALA 56 1.216 -7.159 -8.969 457 H GLU 57 HN GLU 57 2.030 -9.595 -10.168 458 HA GLU 57 HA GLU 57 3.822 -9.603 -11.682 459 HB2 GLU 57 HB2 GLU 57 1.441 -9.822 -13.548 460 HB3 GLU 57 HB1 GLU 57 3.108 -10.151 -14.020 461 HG2 GLU 57 HG2 GLU 57 1.652 -11.566 -11.768 462 HG3 GLU 57 HG1 GLU 57 1.859 -12.224 -13.391 463 H LEU 58 HN LEU 58 3.504 -7.081 -10.861 464 HA LEU 58 HA LEU 58 3.326 -5.390 -13.283 465 HB2 LEU 58 HB2 LEU 58 3.580 -4.538 -10.394 466 HB3 LEU 58 HB1 LEU 58 3.222 -3.494 -11.771 467 HG LEU 58 HG LEU 58 1.495 -5.845 -10.960 468 HD11 LEU 58 HD11 LEU 58 1.347 -2.920 -10.232 469 HD12 LEU 58 HD12 LEU 58 1.343 -4.315 -9.152 470 HD13 LEU 58 HD13 LEU 58 -0.061 -3.981 -10.166 471 HD21 LEU 58 HD21 LEU 58 -0.182 -4.428 -12.359 472 HD22 LEU 58 HD22 LEU 58 1.041 -5.341 -13.233 473 HD23 LEU 58 HD23 LEU 58 1.247 -3.606 -12.985 474 HA PRO 59 HA PRO 59 7.736 -4.904 -13.680 475 HB2 PRO 59 HB2 PRO 59 7.319 -1.949 -13.856 476 HB3 PRO 59 HB1 PRO 59 8.087 -3.048 -15.018 477 HG2 PRO 59 HG2 PRO 59 5.642 -2.008 -15.427 478 HG3 PRO 59 HG1 PRO 59 6.091 -3.628 -15.989 479 HD2 PRO 59 HD2 PRO 59 4.356 -2.844 -13.691 480 HD3 PRO 59 HD1 PRO 59 4.291 -4.269 -14.746 481 H LEU 60 HN LEU 60 9.568 -4.346 -12.438 482 HA LEU 60 HA LEU 60 9.111 -3.749 -9.655 483 HB2 LEU 60 HB2 LEU 60 11.723 -3.756 -11.189 484 HB3 LEU 60 HB1 LEU 60 11.526 -3.923 -9.444 485 HG LEU 60 HG LEU 60 10.431 -5.852 -11.515 486 HD11 LEU 60 HD11 LEU 60 12.771 -6.096 -9.600 487 HD12 LEU 60 HD12 LEU 60 12.882 -5.951 -11.355 488 HD13 LEU 60 HD13 LEU 60 12.160 -7.389 -10.632 489 HD21 LEU 60 HD21 LEU 60 10.216 -7.261 -9.310 490 HD22 LEU 60 HD22 LEU 60 8.994 -6.042 -9.655 491 HD23 LEU 60 HD23 LEU 60 10.282 -5.695 -8.500 492 H LEU 61 HN LEU 61 9.422 -1.887 -8.532 493 HA LEU 61 HA LEU 61 9.485 0.614 -10.060 494 HB2 LEU 61 HB2 LEU 61 9.149 -0.076 -7.137 495 HB3 LEU 61 HB1 LEU 61 9.299 1.592 -7.694 496 HG LEU 61 HG LEU 61 7.365 1.295 -9.175 497 HD11 LEU 61 HD11 LEU 61 7.390 -0.970 -9.822 498 HD12 LEU 61 HD12 LEU 61 6.013 -0.898 -8.725 499 HD13 LEU 61 HD13 LEU 61 7.554 -1.544 -8.162 500 HD21 LEU 61 HD21 LEU 61 5.634 0.898 -7.370 501 HD22 LEU 61 HD22 LEU 61 6.866 2.087 -6.947 502 HD23 LEU 61 HD23 LEU 61 6.954 0.450 -6.291 503 H GLU 62 HN GLU 62 11.078 2.253 -9.803 504 HA GLU 62 HA GLU 62 13.758 1.219 -9.010 505 HB2 GLU 62 HB2 GLU 62 12.875 3.583 -10.676 506 HB3 GLU 62 HB1 GLU 62 14.558 3.268 -10.245 507 HG2 GLU 62 HG2 GLU 62 14.472 1.093 -11.345 508 HG3 GLU 62 HG1 GLU 62 12.757 1.308 -11.697 509 H GLN 63 HN GLN 63 14.698 1.904 -7.205 510 HA GLN 63 HA GLN 63 13.362 3.633 -5.356 511 HB2 GLN 63 HB2 GLN 63 15.098 1.779 -4.881 512 HB3 GLN 63 HB1 GLN 63 16.310 3.010 -5.226 513 HG2 GLN 63 HG2 GLN 63 14.099 3.348 -3.174 514 HG3 GLN 63 HG1 GLN 63 15.735 2.821 -2.783 515 HE21 GLN 63 HE21 GLN 63 14.111 5.458 -2.271 516 HE22 GLN 63 HE22 GLN 63 15.207 6.672 -2.726 517 H GLY 64 HN GLY 64 13.607 5.793 -4.903 518 HA2 GLY 64 HA2 GLY 64 14.591 7.934 -4.970 519 HA3 GLY 64 HA1 GLY 64 15.824 7.320 -6.073 520 H GLU 65 HN GLU 65 13.224 6.119 -7.485 521 HA GLU 65 HA GLU 65 12.921 8.474 -9.273 522 HB2 GLU 65 HB2 GLU 65 12.196 5.554 -9.616 523 HB3 GLU 65 HB1 GLU 65 11.913 6.801 -10.829 524 HG2 GLU 65 HG2 GLU 65 14.636 6.164 -9.658 525 HG3 GLU 65 HG1 GLU 65 14.050 5.527 -11.195 526 H SER 66 HN SER 66 10.832 9.029 -10.078 527 HA SER 66 HA SER 66 8.748 8.903 -7.978 528 HB2 SER 66 HB2 SER 66 9.088 10.563 -10.477 529 HB3 SER 66 HB1 SER 66 7.595 10.566 -9.540 530 HG SER 66 HG SER 66 10.172 11.439 -8.835 531 H TYR 67 HN TYR 67 6.674 8.034 -8.352 532 HA TYR 67 HA TYR 67 6.162 6.725 -10.978 533 HB2 TYR 67 HB2 TYR 67 6.268 5.358 -8.287 534 HB3 TYR 67 HB1 TYR 67 5.306 4.700 -9.610 535 HD1 TYR 67 HD1 TYR 67 6.480 4.344 -11.874 536 HD2 TYR 67 HD2 TYR 67 8.587 4.916 -8.177 537 HE1 TYR 67 HE1 TYR 67 8.507 3.327 -12.875 538 HE2 TYR 67 HE2 TYR 67 10.612 3.896 -9.177 539 HH TYR 67 HH TYR 67 11.296 3.672 -12.116 540 H LEU 68 HN LEU 68 4.009 6.439 -11.428 541 HA LEU 68 HA LEU 68 2.098 7.883 -9.626 542 HB2 LEU 68 HB2 LEU 68 2.337 8.963 -11.805 543 HB3 LEU 68 HB1 LEU 68 2.009 7.440 -12.630 544 HG LEU 68 HG LEU 68 -0.255 7.390 -11.702 545 HD11 LEU 68 HD11 LEU 68 -0.977 9.625 -10.518 546 HD12 LEU 68 HD12 LEU 68 0.744 9.782 -10.169 547 HD13 LEU 68 HD13 LEU 68 -0.151 8.384 -9.576 548 HD21 LEU 68 HD21 LEU 68 0.439 10.097 -12.875 549 HD22 LEU 68 HD22 LEU 68 -1.167 9.367 -12.857 550 HD23 LEU 68 HD23 LEU 68 0.127 8.628 -13.800 551 H LEU 69 HN LEU 69 0.490 6.662 -8.732 552 HA LEU 69 HA LEU 69 0.032 3.909 -9.837 553 HB2 LEU 69 HB2 LEU 69 -0.397 4.852 -6.994 554 HB3 LEU 69 HB1 LEU 69 -0.465 3.200 -7.610 555 HG LEU 69 HG LEU 69 2.056 3.859 -8.429 556 HD11 LEU 69 HD11 LEU 69 1.970 6.109 -7.428 557 HD12 LEU 69 HD12 LEU 69 3.174 5.114 -6.612 558 HD13 LEU 69 HD13 LEU 69 1.608 5.403 -5.855 559 HD21 LEU 69 HD21 LEU 69 2.866 2.726 -6.349 560 HD22 LEU 69 HD22 LEU 69 1.529 1.879 -7.125 561 HD23 LEU 69 HD23 LEU 69 1.235 2.855 -5.686 562 H ARG 70 HN ARG 70 -1.869 3.768 -10.800 563 HA ARG 70 HA ARG 70 -4.145 5.461 -9.810 564 HB2 ARG 70 HB2 ARG 70 -3.556 4.384 -12.571 565 HB3 ARG 70 HB1 ARG 70 -5.078 5.150 -12.120 566 HG2 ARG 70 HG2 ARG 70 -3.908 7.211 -11.526 567 HG3 ARG 70 HG1 ARG 70 -2.353 6.447 -11.858 568 HD2 ARG 70 HD2 ARG 70 -3.012 7.796 -13.786 569 HD3 ARG 70 HD1 ARG 70 -3.072 6.087 -14.220 570 HE ARG 70 HE ARG 70 -5.639 6.949 -13.256 571 HH11 ARG 70 HH21 ARG 70 -3.454 7.153 -15.925 572 HH12 ARG 70 HH22 ARG 70 -4.708 7.389 -17.097 573 HH21 ARG 70 HH11 ARG 70 -7.277 7.257 -14.775 574 HH22 ARG 70 HH12 ARG 70 -6.869 7.448 -16.447 575 H SER 71 HN SER 71 -6.115 4.526 -9.478 576 HA SER 71 HA SER 71 -7.666 2.855 -8.990 577 HB2 SER 71 HB2 SER 71 -6.156 1.019 -10.842 578 HB3 SER 71 HB1 SER 71 -7.886 1.084 -10.518 579 HG SER 71 HG SER 71 -7.976 2.373 -12.162 580 H VAL 72 HN VAL 72 -5.923 3.046 -7.004 581 HA VAL 72 HA VAL 72 -4.963 0.259 -6.428 582 HB VAL 72 HB VAL 72 -3.557 1.368 -4.674 583 HG11 VAL 72 HG11 VAL 72 -3.040 2.588 -7.392 584 HG12 VAL 72 HG12 VAL 72 -2.827 0.863 -7.091 585 HG13 VAL 72 HG13 VAL 72 -1.869 2.039 -6.196 586 HG21 VAL 72 HG21 VAL 72 -3.337 3.744 -4.598 587 HG22 VAL 72 HG22 VAL 72 -5.072 3.440 -4.592 588 HG23 VAL 72 HG23 VAL 72 -4.272 3.955 -6.077 589 H VAL 73 HN VAL 73 -5.231 -0.439 -4.183 590 HA VAL 73 HA VAL 73 -7.684 0.728 -2.896 591 HB VAL 73 HB VAL 73 -8.156 -1.423 -4.033 592 HG11 VAL 73 HG11 VAL 73 -5.827 -2.337 -3.760 593 HG12 VAL 73 HG12 VAL 73 -7.100 -3.470 -3.305 594 HG13 VAL 73 HG13 VAL 73 -6.195 -2.615 -2.057 595 HG21 VAL 73 HG21 VAL 73 -9.233 -0.690 -1.842 596 HG22 VAL 73 HG22 VAL 73 -8.124 -1.795 -1.031 597 HG23 VAL 73 HG23 VAL 73 -9.303 -2.418 -2.185 598 H VAL 74 HN VAL 74 -7.729 0.729 -0.648 599 HA VAL 74 HA VAL 74 -5.038 0.597 0.621 600 HB VAL 74 HB VAL 74 -7.681 1.773 1.511 601 HG11 VAL 74 HG11 VAL 74 -5.028 1.522 2.937 602 HG12 VAL 74 HG12 VAL 74 -6.622 1.046 3.520 603 HG13 VAL 74 HG13 VAL 74 -6.214 2.753 3.367 604 HG21 VAL 74 HG21 VAL 74 -6.469 3.009 -0.249 605 HG22 VAL 74 HG22 VAL 74 -5.015 3.004 0.750 606 HG23 VAL 74 HG23 VAL 74 -6.441 3.900 1.275 607 H GLY 75 HN GLY 75 -4.505 -0.970 2.080 608 HA2 GLY 75 HA2 GLY 75 -6.622 -2.937 2.859 609 HA3 GLY 75 HA1 GLY 75 -4.898 -3.296 2.732 610 H GLU 76 HN GLU 76 -6.677 -3.652 5.050 611 HA GLU 76 HA GLU 76 -5.680 -1.635 6.988 612 HB2 GLU 76 HB2 GLU 76 -8.066 -2.331 7.053 613 HB3 GLU 76 HB1 GLU 76 -7.558 -3.989 7.372 614 HG2 GLU 76 HG2 GLU 76 -6.489 -3.305 9.453 615 HG3 GLU 76 HG1 GLU 76 -6.859 -1.613 9.120 616 H TYR 77 HN TYR 77 -3.642 -2.063 7.673 617 HA TYR 77 HA TYR 77 -2.859 -4.902 8.213 618 HB2 TYR 77 HB2 TYR 77 -1.390 -3.804 6.648 619 HB3 TYR 77 HB1 TYR 77 -1.219 -2.405 7.708 620 HD1 TYR 77 HD2 TYR 77 -0.908 -6.151 7.991 621 HD2 TYR 77 HD1 TYR 77 0.790 -2.308 8.891 622 HE1 TYR 77 HE2 TYR 77 0.995 -7.256 9.126 623 HE2 TYR 77 HE1 TYR 77 2.696 -3.411 10.021 624 HH TYR 77 HH TYR 77 2.882 -6.969 10.244 625 H ASN 78 HN ASN 78 -3.362 -5.358 10.266 626 HA ASN 78 HA ASN 78 -3.640 -5.108 12.587 627 HB2 ASN 78 HB2 ASN 78 -0.867 -3.954 12.172 628 HB3 ASN 78 HB1 ASN 78 -1.515 -4.508 13.716 629 HD21 ASN 78 HD21 ASN 78 -2.996 -6.780 12.398 630 HD22 ASN 78 HD22 ASN 78 -1.806 -7.928 12.017 631 H ASP 79 HN ASP 79 -1.655 -2.589 13.397 632 HA ASP 79 HA ASP 79 -3.982 -0.802 13.819 633 HB2 ASP 79 HB2 ASP 79 -1.135 -0.786 14.855 634 HB3 ASP 79 HB1 ASP 79 -2.298 0.493 15.206 635 H ARG 80 HN ARG 80 -1.281 -1.119 11.712 636 HA ARG 80 HA ARG 80 -1.382 1.767 10.955 637 HB2 ARG 80 HB2 ARG 80 0.555 -0.456 10.291 638 HB3 ARG 80 HB1 ARG 80 0.619 1.139 9.542 639 HG2 ARG 80 HG2 ARG 80 0.855 2.186 11.751 640 HG3 ARG 80 HG1 ARG 80 0.757 0.603 12.524 641 HD2 ARG 80 HD2 ARG 80 2.782 -0.115 11.308 642 HD3 ARG 80 HD1 ARG 80 2.894 1.476 10.555 643 HE ARG 80 HE ARG 80 3.555 0.827 13.347 644 HH11 ARG 80 HH21 ARG 80 2.811 3.216 10.962 645 HH12 ARG 80 HH22 ARG 80 3.529 4.514 11.854 646 HH21 ARG 80 HH11 ARG 80 4.491 2.512 14.516 647 HH22 ARG 80 HH12 ARG 80 4.477 4.118 13.865 648 H PHE 81 HN PHE 81 -1.490 2.304 8.673 649 HA PHE 81 HA PHE 81 -3.273 0.434 7.165 650 HB2 PHE 81 HB2 PHE 81 -2.848 3.430 7.020 651 HB3 PHE 81 HB1 PHE 81 -3.792 2.530 5.831 652 HD1 PHE 81 HD1 PHE 81 -5.880 1.374 6.484 653 HD2 PHE 81 HD2 PHE 81 -3.667 3.775 9.276 654 HE1 PHE 81 HE1 PHE 81 -7.840 1.414 8.004 655 HE2 PHE 81 HE2 PHE 81 -5.628 3.815 10.795 656 HZ PHE 81 HZ PHE 81 -7.714 2.635 10.159 657 H GLN 82 HN GLN 82 -2.839 0.104 4.903 658 HA GLN 82 HA GLN 82 -0.217 1.028 3.870 659 HB2 GLN 82 HB2 GLN 82 -0.946 -1.901 4.197 660 HB3 GLN 82 HB1 GLN 82 0.423 -1.313 3.252 661 HG2 GLN 82 HG2 GLN 82 1.201 -0.112 5.360 662 HG3 GLN 82 HG1 GLN 82 -0.016 -1.039 6.234 663 HE21 GLN 82 HE21 GLN 82 0.370 -3.328 6.555 664 HE22 GLN 82 HE22 GLN 82 1.844 -4.066 6.151 665 H VAL 83 HN VAL 83 0.003 0.582 1.542 666 HA VAL 83 HA VAL 83 -2.684 0.501 0.212 667 HB VAL 83 HB VAL 83 -0.078 1.291 -1.111 668 HG11 VAL 83 HG11 VAL 83 -2.142 0.893 -2.468 669 HG12 VAL 83 HG12 VAL 83 -1.575 2.560 -2.562 670 HG13 VAL 83 HG13 VAL 83 -2.955 2.153 -1.541 671 HG21 VAL 83 HG21 VAL 83 -0.140 2.713 0.818 672 HG22 VAL 83 HG22 VAL 83 -1.882 2.951 0.668 673 HG23 VAL 83 HG23 VAL 83 -0.790 3.668 -0.515 674 H GLN 84 HN GLN 84 -3.221 -1.336 -0.816 675 HA GLN 84 HA GLN 84 -1.090 -3.339 -1.424 676 HB2 GLN 84 HB2 GLN 84 -4.113 -3.562 -1.294 677 HB3 GLN 84 HB1 GLN 84 -3.035 -4.887 -1.737 678 HG2 GLN 84 HG2 GLN 84 -1.902 -4.724 0.433 679 HG3 GLN 84 HG1 GLN 84 -2.931 -3.365 0.883 680 HE21 GLN 84 HE21 GLN 84 -5.112 -5.011 -0.775 681 HE22 GLN 84 HE22 GLN 84 -5.699 -6.088 0.399 682 H VAL 85 HN VAL 85 -0.483 -3.692 -3.491 683 HA VAL 85 HA VAL 85 -2.058 -2.396 -5.679 684 HB VAL 85 HB VAL 85 0.778 -3.459 -5.757 685 HG11 VAL 85 HG11 VAL 85 0.906 -2.029 -7.768 686 HG12 VAL 85 HG12 VAL 85 -0.791 -1.596 -7.553 687 HG13 VAL 85 HG13 VAL 85 -0.346 -3.261 -7.925 688 HG21 VAL 85 HG21 VAL 85 -0.207 -0.617 -5.357 689 HG22 VAL 85 HG22 VAL 85 1.477 -1.123 -5.484 690 HG23 VAL 85 HG23 VAL 85 0.509 -1.621 -4.096 691 H ASN 86 HN ASN 86 -3.070 -3.676 -7.150 692 HA ASN 86 HA ASN 86 -2.392 -6.599 -7.215 693 HB2 ASN 86 HB2 ASN 86 -4.839 -6.973 -7.645 694 HB3 ASN 86 HB1 ASN 86 -4.487 -6.359 -6.030 695 HD21 ASN 86 HD21 ASN 86 -6.361 -5.106 -5.621 696 HD22 ASN 86 HD22 ASN 86 -6.872 -3.822 -6.605 697 H LYS 87 HN LYS 87 -3.938 -7.412 -9.236 698 HA LYS 87 HA LYS 87 -2.541 -6.557 -11.575 699 HB2 LYS 87 HB2 LYS 87 -3.612 -8.791 -11.271 700 HB3 LYS 87 HB1 LYS 87 -5.192 -8.019 -11.396 701 HG2 LYS 87 HG2 LYS 87 -4.662 -7.233 -13.654 702 HG3 LYS 87 HG1 LYS 87 -3.045 -7.930 -13.536 703 HD2 LYS 87 HD2 LYS 87 -4.035 -10.179 -13.272 704 HD3 LYS 87 HD1 LYS 87 -5.648 -9.482 -13.410 705 HE2 LYS 87 HE2 LYS 87 -4.941 -10.389 -15.577 706 HE3 LYS 87 HE1 LYS 87 -5.069 -8.632 -15.669 707 HZ1 LYS 87 HZ1 LYS 87 -2.964 -9.862 -16.556 708 HZ2 LYS 87 HZ2 LYS 87 -2.494 -9.819 -14.924 709 HZ3 LYS 87 HZ3 LYS 87 -2.819 -8.373 -15.757 710 H ASN 88 HN ASN 88 -5.849 -5.847 -10.424 711 HA ASN 88 HA ASN 88 -6.653 -4.274 -12.657 712 HB2 ASN 88 HB2 ASN 88 -8.193 -5.106 -10.886 713 HB3 ASN 88 HB1 ASN 88 -7.481 -3.954 -9.756 714 HD21 ASN 88 HD21 ASN 88 -9.318 -2.578 -9.505 715 HD22 ASN 88 HD22 ASN 88 -9.987 -1.681 -10.780 716 H SER 89 HN SER 89 -4.275 -3.667 -10.331 717 HA SER 89 HA SER 89 -4.544 -0.737 -10.351 718 HB2 SER 89 HB2 SER 89 -2.754 -0.703 -8.839 719 HB3 SER 89 HB1 SER 89 -3.565 -2.220 -8.457 720 HG SER 89 HG SER 89 -1.278 -1.825 -10.094 721 H SER 90 HN SER 90 -2.685 0.640 -11.098 722 HA SER 90 HA SER 90 -1.138 -0.561 -13.354 723 HB2 SER 90 HB2 SER 90 -1.726 1.300 -14.805 724 HB3 SER 90 HB1 SER 90 -3.202 0.515 -14.255 725 HG SER 90 HG SER 90 -2.250 3.039 -13.779 726 H ILE 91 HN ILE 91 0.784 0.723 -13.898 727 HA ILE 91 HA ILE 91 1.513 2.824 -11.926 728 HB ILE 91 HB ILE 91 3.164 0.360 -12.581 729 HG12 ILE 91 HG12 ILE 91 2.133 1.383 -9.917 730 HG13 ILE 91 HG11 ILE 91 1.327 0.132 -10.858 731 HG21 ILE 91 HG21 ILE 91 4.672 2.213 -12.480 732 HG22 ILE 91 HG22 ILE 91 4.752 1.448 -10.894 733 HG23 ILE 91 HG23 ILE 91 3.815 2.925 -11.114 734 HD11 ILE 91 HD11 ILE 91 4.103 0.018 -9.681 735 HD12 ILE 91 HD12 ILE 91 3.478 -1.173 -10.821 736 HD13 ILE 91 HD13 ILE 91 2.716 -0.975 -9.243 737 H GLU 92 HN GLU 92 2.515 4.505 -12.948 738 HA GLU 92 HA GLU 92 3.726 4.022 -15.651 739 HB2 GLU 92 HB2 GLU 92 1.494 5.179 -15.777 740 HB3 GLU 92 HB1 GLU 92 2.172 6.487 -14.807 741 HG2 GLU 92 HG2 GLU 92 2.374 7.138 -17.118 742 HG3 GLU 92 HG1 GLU 92 3.990 6.716 -16.557 743 H LYS 93 HN LYS 93 5.761 4.751 -15.817 744 HA LYS 93 HA LYS 93 7.121 5.885 -13.540 745 HB2 LYS 93 HB2 LYS 93 8.184 4.409 -15.230 746 HB3 LYS 93 HB1 LYS 93 8.040 5.697 -16.424 747 HG2 LYS 93 HG2 LYS 93 9.408 7.175 -14.963 748 HG3 LYS 93 HG1 LYS 93 9.594 5.846 -13.821 749 HD2 LYS 93 HD2 LYS 93 10.382 5.551 -16.723 750 HD3 LYS 93 HD1 LYS 93 11.500 6.211 -15.531 751 HE2 LYS 93 HE2 LYS 93 11.109 4.113 -14.151 752 HE3 LYS 93 HE1 LYS 93 10.233 3.456 -15.531 753 HZ1 LYS 93 HZ1 LYS 93 13.083 4.049 -15.254 754 HZ2 LYS 93 HZ2 LYS 93 12.372 4.169 -16.793 755 HZ3 LYS 93 HZ3 LYS 93 12.320 2.700 -15.942 756 H LEU 94 HN LEU 94 7.581 8.013 -13.097 757 HA LEU 94 HA LEU 94 6.353 10.059 -14.878 758 HB2 LEU 94 HB2 LEU 94 7.391 10.160 -12.036 759 HB3 LEU 94 HB1 LEU 94 6.755 11.563 -12.898 760 HG LEU 94 HG LEU 94 5.201 8.987 -12.515 761 HD11 LEU 94 HD11 LEU 94 3.921 10.381 -10.821 762 HD12 LEU 94 HD12 LEU 94 5.274 11.510 -10.854 763 HD13 LEU 94 HD13 LEU 94 5.522 9.847 -10.315 764 HD21 LEU 94 HD21 LEU 94 4.590 11.701 -13.685 765 HD22 LEU 94 HD22 LEU 94 3.292 10.801 -12.898 766 HD23 LEU 94 HD23 LEU 94 4.136 10.102 -14.275 767 H SER 95 HN SER 95 7.543 11.491 -16.004 768 HA SER 95 HA SER 95 10.460 11.142 -16.077 769 HB2 SER 95 HB2 SER 95 10.356 12.626 -18.006 770 HB3 SER 95 HB1 SER 95 9.072 11.429 -18.148 771 HG SER 95 HG SER 95 8.788 14.001 -18.229 772 H GLU 96 HN GLU 96 8.299 12.990 -14.263 773 HA GLU 96 HA GLU 96 10.227 15.243 -14.007 774 HB2 GLU 96 HB2 GLU 96 7.774 15.675 -14.519 775 HB3 GLU 96 HB1 GLU 96 7.435 15.148 -12.870 776 HG2 GLU 96 HG2 GLU 96 8.965 16.882 -11.994 777 HG3 GLU 96 HG1 GLU 96 9.330 17.399 -13.640 778 HA PRO 97 HA PRO 97 11.245 13.325 -10.041 779 HB2 PRO 97 HB2 PRO 97 12.976 15.227 -9.113 780 HB3 PRO 97 HB1 PRO 97 13.406 14.094 -10.411 781 HG2 PRO 97 HG2 PRO 97 12.557 16.951 -10.599 782 HG3 PRO 97 HG1 PRO 97 13.795 16.079 -11.520 783 HD2 PRO 97 HD2 PRO 97 11.268 16.611 -12.476 784 HD3 PRO 97 HD1 PRO 97 12.276 15.258 -13.032 785 H ILE 98 HN ILE 98 10.596 13.545 -7.880 786 HA ILE 98 HA ILE 98 8.893 15.934 -7.249 787 HB ILE 98 HB ILE 98 8.797 13.093 -6.193 788 HG12 ILE 98 HG12 ILE 98 6.734 14.673 -7.751 789 HG13 ILE 98 HG11 ILE 98 7.914 13.618 -8.530 790 HG21 ILE 98 HG21 ILE 98 8.191 14.529 -4.381 791 HG22 ILE 98 HG22 ILE 98 6.667 14.008 -5.097 792 HG23 ILE 98 HG23 ILE 98 7.300 15.616 -5.446 793 HD11 ILE 98 HD11 ILE 98 5.923 12.760 -6.412 794 HD12 ILE 98 HD12 ILE 98 7.095 11.710 -7.210 795 HD13 ILE 98 HD13 ILE 98 5.782 12.435 -8.140 796 H GLU 99 HN GLU 99 9.511 17.204 -5.554 797 HA GLU 99 HA GLU 99 11.942 16.391 -4.049 798 HB2 GLU 99 HB2 GLU 99 10.518 19.057 -4.329 799 HB3 GLU 99 HB1 GLU 99 11.960 18.790 -3.349 800 HG2 GLU 99 HG2 GLU 99 12.879 19.558 -5.368 801 HG3 GLU 99 HG1 GLU 99 12.984 17.810 -5.562 802 H VAL 100 HN VAL 100 11.726 15.616 -2.054 803 HA VAL 100 HA VAL 100 9.148 15.766 -0.642 804 HB VAL 100 HB VAL 100 11.812 14.506 0.103 805 HG11 VAL 100 HG11 VAL 100 9.103 14.506 1.440 806 HG12 VAL 100 HG12 VAL 100 10.677 14.864 2.153 807 HG13 VAL 100 HG13 VAL 100 10.266 13.208 1.712 808 HG21 VAL 100 HG21 VAL 100 10.722 13.487 -1.866 809 HG22 VAL 100 HG22 VAL 100 9.230 13.301 -0.944 810 HG23 VAL 100 HG23 VAL 100 10.670 12.393 -0.483 811 H GLY 101 HN GLY 101 11.778 17.753 -0.998 812 HA2 GLY 101 HA2 GLY 101 11.186 19.837 0.580 813 HA3 GLY 101 HA1 GLY 101 11.858 18.743 1.791 814 H LEU 102 HN LEU 102 12.870 21.353 0.637 815 HA LEU 102 HA LEU 102 15.366 20.540 -0.733 816 HB2 LEU 102 HB2 LEU 102 14.346 23.271 0.108 817 HB3 LEU 102 HB1 LEU 102 15.754 22.969 -0.913 818 HG LEU 102 HG LEU 102 12.926 22.086 -1.570 819 HD11 LEU 102 HD11 LEU 102 12.867 23.891 -3.172 820 HD12 LEU 102 HD12 LEU 102 14.541 24.321 -2.824 821 HD13 LEU 102 HD13 LEU 102 13.293 24.579 -1.604 822 HD21 LEU 102 HD21 LEU 102 14.159 21.938 -3.923 823 HD22 LEU 102 HD22 LEU 102 14.284 20.612 -2.771 824 HD23 LEU 102 HD23 LEU 102 15.604 21.771 -2.920 825 H GLU 103 HN GLU 103 14.309 20.622 2.371 826 HA GLU 103 HA GLU 103 15.365 20.727 4.457 827 HB2 GLU 103 HB2 GLU 103 17.661 19.885 2.668 828 HB3 GLU 103 HB1 GLU 103 17.731 19.873 4.431 829 HG2 GLU 103 HG2 GLU 103 15.864 18.310 4.540 830 HG3 GLU 103 HG1 GLU 103 15.667 18.380 2.789 831 H HIS 104 HN HIS 104 17.857 21.490 5.283 832 HA HIS 104 HA HIS 104 17.799 24.407 4.737 833 HB2 HIS 104 HB2 HIS 104 17.807 23.522 7.091 834 HB3 HIS 104 HB1 HIS 104 19.413 22.861 6.790 835 HD1 HIS 104 HD1 HIS 104 17.639 26.234 6.569 836 HD2 HIS 104 HD2 HIS 104 21.433 24.673 7.311 837 HE1 HIS 104 HE1 HIS 104 19.119 28.202 7.157 838 H HIS 105 HN HIS 105 19.157 25.171 3.214 839 HA HIS 105 HA HIS 105 21.921 24.113 3.030 840 HB2 HIS 105 HB2 HIS 105 20.406 22.821 1.420 841 HB3 HIS 105 HB1 HIS 105 20.181 24.343 0.559 842 HD1 HIS 105 HD1 HIS 105 23.059 22.138 1.756 843 HD2 HIS 105 HD2 HIS 105 22.174 24.844 -1.290 844 HE1 HIS 105 HE1 HIS 105 25.063 22.154 0.206 845 H HIS 106 HN HIS 106 20.394 26.648 3.756 846 HA HIS 106 HA HIS 106 20.583 28.956 3.397 847 HB2 HIS 106 HB2 HIS 106 22.934 28.431 3.963 848 HB3 HIS 106 HB1 HIS 106 23.259 28.085 2.264 849 HD1 HIS 106 HD1 HIS 106 21.785 30.986 4.269 850 HD2 HIS 106 HD2 HIS 106 24.201 30.315 0.938 851 HE1 HIS 106 HE1 HIS 106 22.488 33.266 3.423 852 H HIS 107 HN HIS 107 22.674 29.197 0.832 853 HA HIS 107 HA HIS 107 20.477 29.901 -1.003 854 HB2 HIS 107 HB2 HIS 107 22.599 31.288 -0.634 855 HB3 HIS 107 HB1 HIS 107 23.450 30.043 -1.549 856 HD1 HIS 107 HD1 HIS 107 22.866 29.804 -4.083 857 HD2 HIS 107 HD2 HIS 107 20.886 32.937 -2.176 858 HE1 HIS 107 HE1 HIS 107 21.856 31.234 -5.914 859 H HIS 108 HN HIS 108 20.358 29.032 -3.181 860 HA HIS 108 HA HIS 108 21.955 26.653 -3.834 861 HB2 HIS 108 HB2 HIS 108 19.997 25.175 -4.076 862 HB3 HIS 108 HB1 HIS 108 20.174 25.713 -2.406 863 HD1 HIS 108 HD1 HIS 108 18.492 27.547 -1.554 864 HD2 HIS 108 HD2 HIS 108 17.676 26.106 -5.379 865 HE1 HIS 108 HE1 HIS 108 16.151 28.327 -2.129 866 H HIS 109 HN HIS 109 21.695 26.033 -6.064 867 HA HIS 109 HA HIS 109 19.819 27.351 -7.824 868 HB2 HIS 109 HB2 HIS 109 21.422 28.770 -9.036 869 HB3 HIS 109 HB1 HIS 109 21.325 29.268 -7.347 870 HD1 HIS 109 HD1 HIS 109 23.269 28.206 -5.750 871 HD2 HIS 109 HD2 HIS 109 23.996 28.125 -9.854 872 HE1 HIS 109 HE1 HIS 109 25.757 27.822 -6.029 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -9.018 10.373 -17.959 2 H2 MET 1 HT2 MET 1 -8.859 10.670 -16.295 3 H3 MET 1 HT3 MET 1 -7.680 9.762 -17.114 4 HA MET 1 HA MET 1 -6.589 11.557 -17.818 5 HB2 MET 1 HB2 MET 1 -8.493 11.946 -19.429 6 HB3 MET 1 HB1 MET 1 -9.253 12.959 -18.203 7 HG2 MET 1 HG2 MET 1 -7.285 14.443 -18.193 8 HG3 MET 1 HG1 MET 1 -6.503 13.423 -19.399 9 HE1 MET 1 HE1 MET 1 -9.893 16.424 -19.880 10 HE2 MET 1 HE2 MET 1 -8.566 16.432 -18.721 11 HE3 MET 1 HE3 MET 1 -9.839 15.223 -18.581 12 H GLU 2 HN GLU 2 -8.947 11.603 -15.342 13 HA GLU 2 HA GLU 2 -7.357 13.644 -13.854 14 HB2 GLU 2 HB2 GLU 2 -10.340 13.669 -14.349 15 HB3 GLU 2 HB1 GLU 2 -9.631 14.482 -12.954 16 HG2 GLU 2 HG2 GLU 2 -8.630 14.976 -15.764 17 HG3 GLU 2 HG1 GLU 2 -9.963 15.902 -15.073 18 HA PRO 3 HA PRO 3 -8.224 9.692 -11.507 19 HB2 PRO 3 HB2 PRO 3 -5.423 10.202 -10.614 20 HB3 PRO 3 HB1 PRO 3 -6.150 8.709 -11.240 21 HG2 PRO 3 HG2 PRO 3 -4.450 10.159 -12.709 22 HG3 PRO 3 HG1 PRO 3 -5.828 9.318 -13.440 23 HD2 PRO 3 HD2 PRO 3 -5.529 12.240 -12.803 24 HD3 PRO 3 HD1 PRO 3 -6.284 11.468 -14.216 25 H GLN 4 HN GLN 4 -8.649 9.537 -9.273 26 HA GLN 4 HA GLN 4 -8.906 12.084 -7.868 27 HB2 GLN 4 HB2 GLN 4 -9.720 10.430 -5.994 28 HB3 GLN 4 HB1 GLN 4 -10.713 10.650 -7.434 29 HG2 GLN 4 HG2 GLN 4 -9.826 8.626 -8.434 30 HG3 GLN 4 HG1 GLN 4 -8.660 8.440 -7.123 31 HE21 GLN 4 HE21 GLN 4 -11.227 9.570 -5.481 32 HE22 GLN 4 HE22 GLN 4 -12.043 8.124 -5.130 33 H LEU 5 HN LEU 5 -7.177 12.945 -6.821 34 HA LEU 5 HA LEU 5 -4.946 11.222 -5.958 35 HB2 LEU 5 HB2 LEU 5 -5.337 14.216 -5.649 36 HB3 LEU 5 HB1 LEU 5 -3.825 13.333 -5.437 37 HG LEU 5 HG LEU 5 -5.411 13.506 -8.016 38 HD11 LEU 5 HD11 LEU 5 -3.709 15.002 -8.799 39 HD12 LEU 5 HD12 LEU 5 -2.708 14.710 -7.378 40 HD13 LEU 5 HD13 LEU 5 -4.217 15.607 -7.224 41 HD21 LEU 5 HD21 LEU 5 -4.275 11.458 -8.161 42 HD22 LEU 5 HD22 LEU 5 -2.913 12.025 -7.195 43 HD23 LEU 5 HD23 LEU 5 -3.100 12.567 -8.863 44 H THR 6 HN THR 6 -4.768 10.438 -3.941 45 HA THR 6 HA THR 6 -6.352 11.713 -1.728 46 HB THR 6 HB THR 6 -5.669 8.790 -2.159 47 HG1 THR 6 HG1 THR 6 -7.463 9.926 -3.320 48 HG21 THR 6 HG21 THR 6 -6.936 10.287 0.137 49 HG22 THR 6 HG22 THR 6 -5.588 9.151 0.186 50 HG23 THR 6 HG23 THR 6 -7.223 8.567 -0.122 51 H LYS 7 HN LYS 7 -5.199 12.213 0.111 52 HA LYS 7 HA LYS 7 -2.262 11.802 -0.005 53 HB2 LYS 7 HB2 LYS 7 -4.012 13.497 1.793 54 HB3 LYS 7 HB1 LYS 7 -2.252 13.481 1.822 55 HG2 LYS 7 HG2 LYS 7 -2.197 14.228 -0.525 56 HG3 LYS 7 HG1 LYS 7 -3.959 14.241 -0.567 57 HD2 LYS 7 HD2 LYS 7 -2.390 15.865 1.446 58 HD3 LYS 7 HD1 LYS 7 -2.799 16.497 -0.144 59 HE2 LYS 7 HE2 LYS 7 -5.236 15.914 0.408 60 HE3 LYS 7 HE1 LYS 7 -4.692 15.670 2.068 61 HZ1 LYS 7 HZ1 LYS 7 -3.844 18.132 0.772 62 HZ2 LYS 7 HZ2 LYS 7 -4.325 17.857 2.378 63 HZ3 LYS 7 HZ3 LYS 7 -5.493 18.015 1.154 64 H ILE 8 HN ILE 8 -1.141 10.813 1.684 65 HA ILE 8 HA ILE 8 -2.269 8.578 2.971 66 HB ILE 8 HB ILE 8 0.085 10.249 3.899 67 HG12 ILE 8 HG12 ILE 8 0.140 7.774 2.160 68 HG13 ILE 8 HG11 ILE 8 0.077 9.400 1.475 69 HG21 ILE 8 HG21 ILE 8 -0.592 8.689 5.621 70 HG22 ILE 8 HG22 ILE 8 0.850 8.045 4.837 71 HG23 ILE 8 HG23 ILE 8 -0.736 7.384 4.444 72 HD11 ILE 8 HD11 ILE 8 2.181 8.451 3.435 73 HD12 ILE 8 HD12 ILE 8 2.140 10.006 2.612 74 HD13 ILE 8 HD13 ILE 8 2.412 8.527 1.689 75 H VAL 9 HN VAL 9 -1.757 11.861 4.211 76 HA VAL 9 HA VAL 9 -2.812 11.325 6.842 77 HB VAL 9 HB VAL 9 -1.356 13.293 6.232 78 HG11 VAL 9 HG11 VAL 9 -2.735 13.734 4.103 79 HG12 VAL 9 HG12 VAL 9 -2.238 15.142 5.039 80 HG13 VAL 9 HG13 VAL 9 -3.892 14.541 5.161 81 HG21 VAL 9 HG21 VAL 9 -2.862 13.163 8.292 82 HG22 VAL 9 HG22 VAL 9 -4.015 14.157 7.402 83 HG23 VAL 9 HG23 VAL 9 -2.414 14.791 7.780 84 H ASP 10 HN ASP 10 -4.302 11.625 3.783 85 HA ASP 10 HA ASP 10 -6.925 12.487 4.907 86 HB2 ASP 10 HB2 ASP 10 -6.134 13.474 2.763 87 HB3 ASP 10 HB1 ASP 10 -6.095 11.863 2.046 88 H ILE 11 HN ILE 11 -5.295 9.675 4.835 89 HA ILE 11 HA ILE 11 -6.996 7.769 3.637 90 HB ILE 11 HB ILE 11 -5.300 7.628 6.142 91 HG12 ILE 11 HG12 ILE 11 -4.375 7.955 3.689 92 HG13 ILE 11 HG11 ILE 11 -3.586 6.833 4.785 93 HG21 ILE 11 HG21 ILE 11 -6.860 5.888 6.462 94 HG22 ILE 11 HG22 ILE 11 -5.479 5.096 5.706 95 HG23 ILE 11 HG23 ILE 11 -6.902 5.490 4.744 96 HD11 ILE 11 HD11 ILE 11 -4.537 4.951 3.719 97 HD12 ILE 11 HD12 ILE 11 -4.085 6.019 2.391 98 HD13 ILE 11 HD13 ILE 11 -5.767 5.923 2.911 99 H VAL 12 HN VAL 12 -6.914 8.315 7.174 100 HA VAL 12 HA VAL 12 -8.602 8.310 8.748 101 HB VAL 12 HB VAL 12 -10.557 8.981 6.540 102 HG11 VAL 12 HG11 VAL 12 -11.292 8.602 8.930 103 HG12 VAL 12 HG12 VAL 12 -11.678 10.198 8.282 104 HG13 VAL 12 HG13 VAL 12 -10.310 9.998 9.376 105 HG21 VAL 12 HG21 VAL 12 -9.865 11.407 7.117 106 HG22 VAL 12 HG22 VAL 12 -8.791 10.488 6.070 107 HG23 VAL 12 HG23 VAL 12 -8.391 10.694 7.772 108 H GLU 13 HN GLU 13 -9.277 6.536 5.758 109 HA GLU 13 HA GLU 13 -10.408 4.359 7.405 110 HB2 GLU 13 HB2 GLU 13 -12.337 5.751 6.604 111 HB3 GLU 13 HB1 GLU 13 -11.827 5.437 4.946 112 HG2 GLU 13 HG2 GLU 13 -13.561 3.843 5.517 113 HG3 GLU 13 HG1 GLU 13 -12.031 2.972 5.424 114 H ASN 14 HN ASN 14 -10.125 2.334 6.451 115 HA ASN 14 HA ASN 14 -8.195 2.289 4.162 116 HB2 ASN 14 HB2 ASN 14 -7.707 -0.031 4.911 117 HB3 ASN 14 HB1 ASN 14 -7.396 1.176 6.156 118 HD21 ASN 14 HD21 ASN 14 -7.965 0.204 8.105 119 HD22 ASN 14 HD22 ASN 14 -9.427 -0.611 8.388 120 H GLY 15 HN GLY 15 -8.411 0.214 2.795 121 HA2 GLY 15 HA2 GLY 15 -9.686 -1.147 1.358 122 HA3 GLY 15 HA1 GLY 15 -11.047 -0.940 2.462 123 H GLN 16 HN GLN 16 -9.487 1.913 1.264 124 HA GLN 16 HA GLN 16 -11.938 2.548 -0.312 125 HB2 GLN 16 HB2 GLN 16 -9.710 4.257 0.818 126 HB3 GLN 16 HB1 GLN 16 -10.967 4.888 -0.248 127 HG2 GLN 16 HG2 GLN 16 -12.700 4.166 1.318 128 HG3 GLN 16 HG1 GLN 16 -11.480 3.445 2.366 129 HE21 GLN 16 HE21 GLN 16 -9.652 5.152 2.998 130 HE22 GLN 16 HE22 GLN 16 -10.223 6.689 3.435 131 H TRP 17 HN TRP 17 -11.817 3.157 -2.474 132 HA TRP 17 HA TRP 17 -9.364 2.296 -3.910 133 HB2 TRP 17 HB2 TRP 17 -12.163 2.998 -4.850 134 HB3 TRP 17 HB1 TRP 17 -10.847 2.533 -5.930 135 HD1 TRP 17 HD1 TRP 17 -13.298 1.135 -3.407 136 HE1 TRP 17 HE1 TRP 17 -13.131 -1.439 -3.392 137 HE3 TRP 17 HE3 TRP 17 -9.162 0.504 -6.332 138 HZ2 TRP 17 HZ2 TRP 17 -11.463 -3.493 -4.480 139 HZ3 TRP 17 HZ3 TRP 17 -8.306 -1.769 -6.827 140 HH2 TRP 17 HH2 TRP 17 -9.450 -3.766 -5.906 141 H ALA 18 HN ALA 18 -7.962 3.783 -4.668 142 HA ALA 18 HA ALA 18 -8.844 6.368 -5.642 143 HB1 ALA 18 HB1 ALA 18 -7.035 6.442 -3.216 144 HB2 ALA 18 HB2 ALA 18 -8.782 6.664 -3.112 145 HB3 ALA 18 HB3 ALA 18 -7.802 7.799 -4.040 146 H ASN 19 HN ASN 19 -6.525 7.758 -5.685 147 HA ASN 19 HA ASN 19 -4.488 5.906 -6.904 148 HB2 ASN 19 HB2 ASN 19 -5.196 8.684 -7.898 149 HB3 ASN 19 HB1 ASN 19 -4.059 7.553 -8.634 150 HD21 ASN 19 HD21 ASN 19 -7.406 7.123 -7.357 151 HD22 ASN 19 HD22 ASN 19 -8.014 6.425 -8.778 152 H LEU 20 HN LEU 20 -2.313 6.444 -6.431 153 HA LEU 20 HA LEU 20 -1.870 8.863 -4.729 154 HB2 LEU 20 HB2 LEU 20 -2.032 6.907 -3.234 155 HB3 LEU 20 HB1 LEU 20 -0.811 6.069 -4.189 156 HG LEU 20 HG LEU 20 0.853 7.789 -3.622 157 HD11 LEU 20 HD11 LEU 20 -1.544 9.116 -2.377 158 HD12 LEU 20 HD12 LEU 20 -0.254 9.821 -3.351 159 HD13 LEU 20 HD13 LEU 20 0.049 9.389 -1.672 160 HD21 LEU 20 HD21 LEU 20 0.531 5.839 -2.116 161 HD22 LEU 20 HD22 LEU 20 -0.611 6.785 -1.160 162 HD23 LEU 20 HD23 LEU 20 1.085 7.267 -1.241 163 H LYS 21 HN LYS 21 -0.159 10.020 -5.368 164 HA LYS 21 HA LYS 21 1.824 8.764 -7.244 165 HB2 LYS 21 HB2 LYS 21 0.398 10.548 -8.263 166 HB3 LYS 21 HB1 LYS 21 1.006 11.676 -7.051 167 HG2 LYS 21 HG2 LYS 21 3.277 11.412 -7.850 168 HG3 LYS 21 HG1 LYS 21 2.784 10.121 -8.943 169 HD2 LYS 21 HD2 LYS 21 3.006 12.160 -10.238 170 HD3 LYS 21 HD1 LYS 21 1.291 11.767 -10.119 171 HE2 LYS 21 HE2 LYS 21 0.899 13.460 -8.519 172 HE3 LYS 21 HE1 LYS 21 2.616 13.628 -8.147 173 HZ1 LYS 21 HZ1 LYS 21 2.254 14.076 -10.883 174 HZ2 LYS 21 HZ2 LYS 21 2.760 15.179 -9.694 175 HZ3 LYS 21 HZ3 LYS 21 1.108 15.012 -10.054 176 H ALA 22 HN ALA 22 3.875 8.771 -6.553 177 HA ALA 22 HA ALA 22 5.004 10.825 -4.866 178 HB1 ALA 22 HB1 ALA 22 5.254 9.660 -2.775 179 HB2 ALA 22 HB2 ALA 22 4.548 8.191 -3.448 180 HB3 ALA 22 HB3 ALA 22 3.545 9.618 -3.201 181 H LYS 23 HN LYS 23 7.024 9.727 -3.671 182 HA LYS 23 HA LYS 23 8.531 8.226 -5.809 183 HB2 LYS 23 HB2 LYS 23 9.344 10.528 -5.455 184 HB3 LYS 23 HB1 LYS 23 9.639 10.157 -3.758 185 HG2 LYS 23 HG2 LYS 23 11.245 8.411 -4.399 186 HG3 LYS 23 HG1 LYS 23 10.926 8.726 -6.103 187 HD2 LYS 23 HD2 LYS 23 11.985 10.789 -4.153 188 HD3 LYS 23 HD1 LYS 23 12.995 9.860 -5.257 189 HE2 LYS 23 HE2 LYS 23 12.650 11.740 -6.566 190 HE3 LYS 23 HE1 LYS 23 11.232 10.815 -7.058 191 HZ1 LYS 23 HZ1 LYS 23 11.423 13.163 -5.344 192 HZ2 LYS 23 HZ2 LYS 23 10.271 11.994 -4.904 193 HZ3 LYS 23 HZ3 LYS 23 10.210 12.715 -6.442 194 H VAL 24 HN VAL 24 9.939 6.551 -5.183 195 HA VAL 24 HA VAL 24 9.154 5.292 -2.618 196 HB VAL 24 HB VAL 24 10.786 4.356 -4.980 197 HG11 VAL 24 HG11 VAL 24 10.113 2.970 -2.371 198 HG12 VAL 24 HG12 VAL 24 11.717 3.244 -3.051 199 HG13 VAL 24 HG13 VAL 24 10.616 2.109 -3.821 200 HG21 VAL 24 HG21 VAL 24 8.291 4.564 -5.212 201 HG22 VAL 24 HG22 VAL 24 8.129 3.394 -3.902 202 HG23 VAL 24 HG23 VAL 24 8.899 2.921 -5.416 203 H ILE 25 HN ILE 25 10.357 5.526 -0.835 204 HA ILE 25 HA ILE 25 13.057 6.708 -0.999 205 HB ILE 25 HB ILE 25 12.858 6.579 1.548 206 HG12 ILE 25 HG12 ILE 25 9.969 5.971 0.869 207 HG13 ILE 25 HG11 ILE 25 11.108 4.747 1.428 208 HG21 ILE 25 HG21 ILE 25 11.057 8.407 1.539 209 HG22 ILE 25 HG22 ILE 25 10.927 8.116 -0.197 210 HG23 ILE 25 HG23 ILE 25 12.451 8.675 0.492 211 HD11 ILE 25 HD11 ILE 25 10.604 7.302 2.955 212 HD12 ILE 25 HD12 ILE 25 11.412 5.841 3.522 213 HD13 ILE 25 HD13 ILE 25 9.671 5.832 3.234 214 H GLN 26 HN GLN 26 11.651 3.569 -0.608 215 HA GLN 26 HA GLN 26 14.282 2.340 -0.643 216 HB2 GLN 26 HB2 GLN 26 14.112 2.921 1.760 217 HB3 GLN 26 HB1 GLN 26 12.600 2.018 1.863 218 HG2 GLN 26 HG2 GLN 26 13.724 -0.053 1.308 219 HG3 GLN 26 HG1 GLN 26 15.231 0.803 0.976 220 HE21 GLN 26 HE21 GLN 26 15.157 -1.250 2.954 221 HE22 GLN 26 HE22 GLN 26 15.367 -0.541 4.482 222 H LEU 27 HN LEU 27 14.139 0.032 -0.951 223 HA LEU 27 HA LEU 27 11.389 -0.975 -1.611 224 HB2 LEU 27 HB2 LEU 27 13.999 -1.358 -3.094 225 HB3 LEU 27 HB1 LEU 27 12.554 -2.309 -3.423 226 HG LEU 27 HG LEU 27 12.535 0.718 -3.482 227 HD11 LEU 27 HD11 LEU 27 12.778 0.527 -5.937 228 HD12 LEU 27 HD12 LEU 27 13.028 -1.209 -5.774 229 HD13 LEU 27 HD13 LEU 27 14.208 -0.082 -5.104 230 HD21 LEU 27 HD21 LEU 27 10.711 -1.472 -4.507 231 HD22 LEU 27 HD22 LEU 27 10.628 0.174 -5.129 232 HD23 LEU 27 HD23 LEU 27 10.310 -0.138 -3.427 233 H TRP 28 HN TRP 28 11.042 -3.217 -1.282 234 HA TRP 28 HA TRP 28 13.165 -4.707 0.190 235 HB2 TRP 28 HB2 TRP 28 10.388 -4.015 1.139 236 HB3 TRP 28 HB1 TRP 28 11.123 -5.533 1.651 237 HD1 TRP 28 HD1 TRP 28 11.112 -1.880 2.378 238 HE1 TRP 28 HE1 TRP 28 12.906 -1.329 4.148 239 HE3 TRP 28 HE3 TRP 28 13.661 -6.297 2.441 240 HZ2 TRP 28 HZ2 TRP 28 15.133 -2.603 5.420 241 HZ3 TRP 28 HZ3 TRP 28 15.611 -6.606 3.936 242 HH2 TRP 28 HH2 TRP 28 16.351 -4.766 5.425 243 H GLU 29 HN GLU 29 13.500 -6.257 -1.281 244 HA GLU 29 HA GLU 29 11.268 -7.481 -2.783 245 HB2 GLU 29 HB2 GLU 29 14.256 -7.996 -2.788 246 HB3 GLU 29 HB1 GLU 29 13.104 -8.830 -3.835 247 HG2 GLU 29 HG2 GLU 29 12.407 -6.705 -4.814 248 HG3 GLU 29 HG1 GLU 29 13.483 -5.826 -3.730 249 H ASN 30 HN ASN 30 10.296 -9.409 -2.231 250 HA ASN 30 HA ASN 30 11.543 -10.967 0.034 251 HB2 ASN 30 HB2 ASN 30 8.959 -11.860 -0.046 252 HB3 ASN 30 HB1 ASN 30 9.485 -10.507 0.955 253 HD21 ASN 30 HD21 ASN 30 7.343 -11.395 -1.545 254 HD22 ASN 30 HD22 ASN 30 6.889 -9.832 -2.022 255 H THR 31 HN THR 31 10.138 -11.098 -3.177 256 HA THR 31 HA THR 31 10.232 -12.748 -4.824 257 HB THR 31 HB THR 31 12.238 -14.265 -3.152 258 HG1 THR 31 HG1 THR 31 13.780 -12.789 -4.178 259 HG21 THR 31 HG21 THR 31 13.239 -14.662 -5.381 260 HG22 THR 31 HG22 THR 31 11.978 -13.670 -6.115 261 HG23 THR 31 HG23 THR 31 11.557 -15.191 -5.328 262 H HIS 32 HN HIS 32 8.922 -13.125 -1.911 263 HA HIS 32 HA HIS 32 8.535 -15.996 -1.780 264 HB2 HIS 32 HB2 HIS 32 7.129 -13.663 -0.457 265 HB3 HIS 32 HB1 HIS 32 6.712 -15.348 -0.134 266 HD1 HIS 32 HD1 HIS 32 9.565 -16.559 -0.144 267 HD2 HIS 32 HD2 HIS 32 8.534 -13.073 1.897 268 HE1 HIS 32 HE1 HIS 32 11.282 -16.271 1.694 269 H GLU 33 HN GLU 33 6.603 -17.153 -2.318 270 HA GLU 33 HA GLU 33 5.346 -16.335 -4.764 271 HB2 GLU 33 HB2 GLU 33 4.639 -18.492 -2.757 272 HB3 GLU 33 HB1 GLU 33 3.827 -18.301 -4.312 273 HG2 GLU 33 HG2 GLU 33 5.941 -18.606 -5.495 274 HG3 GLU 33 HG1 GLU 33 6.816 -18.688 -3.967 275 H SER 34 HN SER 34 4.240 -16.285 -1.374 276 HA SER 34 HA SER 34 1.583 -15.358 -1.995 277 HB2 SER 34 HB2 SER 34 1.851 -16.257 0.180 278 HB3 SER 34 HB1 SER 34 3.297 -15.300 0.489 279 HG SER 34 HG SER 34 1.256 -13.677 -0.114 280 H ILE 35 HN ILE 35 4.455 -13.588 -0.772 281 HA ILE 35 HA ILE 35 3.207 -11.053 -1.757 282 HB ILE 35 HB ILE 35 5.517 -11.434 0.173 283 HG12 ILE 35 HG12 ILE 35 2.641 -10.672 0.765 284 HG13 ILE 35 HG11 ILE 35 3.278 -12.302 0.982 285 HG21 ILE 35 HG21 ILE 35 5.092 -9.053 0.663 286 HG22 ILE 35 HG22 ILE 35 3.795 -9.040 -0.530 287 HG23 ILE 35 HG23 ILE 35 5.461 -9.270 -1.046 288 HD11 ILE 35 HD11 ILE 35 4.306 -9.796 2.346 289 HD12 ILE 35 HD12 ILE 35 4.997 -11.408 2.531 290 HD13 ILE 35 HD13 ILE 35 3.363 -11.079 3.107 291 H SER 36 HN SER 36 4.239 -9.906 -3.330 292 HA SER 36 HA SER 36 6.523 -11.210 -4.681 293 HB2 SER 36 HB2 SER 36 5.911 -9.945 -6.553 294 HB3 SER 36 HB1 SER 36 4.362 -10.154 -5.744 295 HG SER 36 HG SER 36 4.583 -8.000 -6.192 296 H GLN 37 HN GLN 37 5.758 -7.833 -3.711 297 HA GLN 37 HA GLN 37 8.557 -7.496 -2.797 298 HB2 GLN 37 HB2 GLN 37 7.229 -5.912 -5.003 299 HB3 GLN 37 HB1 GLN 37 8.644 -5.327 -4.128 300 HG2 GLN 37 HG2 GLN 37 9.900 -7.337 -4.807 301 HG3 GLN 37 HG1 GLN 37 8.486 -7.935 -5.671 302 HE21 GLN 37 HE21 GLN 37 11.307 -6.100 -6.046 303 HE22 GLN 37 HE22 GLN 37 10.911 -5.339 -7.509 304 H VAL 38 HN VAL 38 8.811 -5.635 -1.445 305 HA VAL 38 HA VAL 38 6.301 -4.259 -0.581 306 HB VAL 38 HB VAL 38 8.404 -5.314 1.331 307 HG11 VAL 38 HG11 VAL 38 7.212 -3.437 2.234 308 HG12 VAL 38 HG12 VAL 38 6.511 -4.880 2.966 309 HG13 VAL 38 HG13 VAL 38 5.667 -4.059 1.655 310 HG21 VAL 38 HG21 VAL 38 5.702 -6.480 0.591 311 HG22 VAL 38 HG22 VAL 38 6.695 -7.025 1.942 312 HG23 VAL 38 HG23 VAL 38 7.274 -7.217 0.290 313 H GLY 39 HN GLY 39 6.835 -2.207 0.601 314 HA2 GLY 39 HA2 GLY 39 9.486 -1.206 0.814 315 HA3 GLY 39 HA1 GLY 39 8.871 -0.725 -0.764 316 H LEU 40 HN LEU 40 9.198 1.456 0.284 317 HA LEU 40 HA LEU 40 6.686 2.276 1.708 318 HB2 LEU 40 HB2 LEU 40 9.495 3.278 2.267 319 HB3 LEU 40 HB1 LEU 40 8.019 3.914 2.990 320 HG LEU 40 HG LEU 40 7.680 1.291 3.604 321 HD11 LEU 40 HD11 LEU 40 9.961 0.845 2.473 322 HD12 LEU 40 HD12 LEU 40 9.705 0.160 4.076 323 HD13 LEU 40 HD13 LEU 40 10.671 1.622 3.888 324 HD21 LEU 40 HD21 LEU 40 7.607 3.036 5.271 325 HD22 LEU 40 HD22 LEU 40 9.339 3.333 5.113 326 HD23 LEU 40 HD23 LEU 40 8.764 1.824 5.822 327 H LEU 41 HN LEU 41 5.917 4.352 1.172 328 HA LEU 41 HA LEU 41 7.107 5.505 -1.325 329 HB2 LEU 41 HB2 LEU 41 4.284 5.364 -0.261 330 HB3 LEU 41 HB1 LEU 41 4.731 6.519 -1.513 331 HG LEU 41 HG LEU 41 5.471 3.615 -1.863 332 HD11 LEU 41 HD11 LEU 41 3.301 3.246 -3.018 333 HD12 LEU 41 HD12 LEU 41 2.753 4.825 -2.456 334 HD13 LEU 41 HD13 LEU 41 3.092 3.543 -1.293 335 HD21 LEU 41 HD21 LEU 41 5.463 4.151 -4.177 336 HD22 LEU 41 HD22 LEU 41 6.186 5.564 -3.415 337 HD23 LEU 41 HD23 LEU 41 4.501 5.606 -3.926 338 H GLY 42 HN GLY 42 8.003 7.433 -1.131 339 HA2 GLY 42 HA2 GLY 42 7.680 8.992 1.360 340 HA3 GLY 42 HA1 GLY 42 8.910 9.254 0.128 341 H ASP 43 HN ASP 43 5.770 10.131 1.210 342 HA ASP 43 HA ASP 43 5.264 11.729 -1.271 343 HB2 ASP 43 HB2 ASP 43 3.372 11.192 1.031 344 HB3 ASP 43 HB1 ASP 43 2.974 11.887 -0.540 345 H GLU 44 HN GLU 44 4.400 13.944 -0.872 346 HA GLU 44 HA GLU 44 6.135 15.416 0.916 347 HB2 GLU 44 HB2 GLU 44 5.301 16.294 -1.263 348 HB3 GLU 44 HB1 GLU 44 3.674 16.351 -0.589 349 HG2 GLU 44 HG2 GLU 44 4.403 17.942 1.122 350 HG3 GLU 44 HG1 GLU 44 6.064 17.841 0.534 351 H THR 45 HN THR 45 3.068 13.909 1.290 352 HA THR 45 HA THR 45 2.298 15.636 3.583 353 HB THR 45 HB THR 45 0.218 14.376 3.571 354 HG1 THR 45 HG1 THR 45 0.739 12.878 1.371 355 HG21 THR 45 HG21 THR 45 1.246 15.281 0.879 356 HG22 THR 45 HG22 THR 45 0.144 16.115 1.973 357 HG23 THR 45 HG23 THR 45 -0.403 14.697 1.083 358 H GLY 46 HN GLY 46 4.100 12.818 2.985 359 HA2 GLY 46 HA2 GLY 46 5.075 12.300 5.452 360 HA3 GLY 46 HA1 GLY 46 3.481 11.560 5.586 361 H ILE 47 HN ILE 47 4.316 9.451 5.754 362 HA ILE 47 HA ILE 47 5.358 8.310 3.188 363 HB ILE 47 HB ILE 47 6.840 6.826 4.489 364 HG12 ILE 47 HG12 ILE 47 6.021 8.528 6.868 365 HG13 ILE 47 HG11 ILE 47 5.505 6.862 6.606 366 HG21 ILE 47 HG21 ILE 47 8.539 8.435 4.902 367 HG22 ILE 47 HG22 ILE 47 7.364 9.682 5.324 368 HG23 ILE 47 HG23 ILE 47 7.526 9.153 3.652 369 HD11 ILE 47 HD11 ILE 47 7.408 6.817 8.094 370 HD12 ILE 47 HD12 ILE 47 8.341 7.843 7.004 371 HD13 ILE 47 HD13 ILE 47 7.928 6.196 6.527 372 H ILE 48 HN ILE 48 4.814 6.043 2.891 373 HA ILE 48 HA ILE 48 2.935 4.822 4.800 374 HB ILE 48 HB ILE 48 1.444 6.236 3.451 375 HG12 ILE 48 HG12 ILE 48 1.153 3.371 2.529 376 HG13 ILE 48 HG11 ILE 48 0.823 3.868 4.189 377 HG21 ILE 48 HG21 ILE 48 2.411 4.648 1.063 378 HG22 ILE 48 HG22 ILE 48 2.992 6.267 1.454 379 HG23 ILE 48 HG23 ILE 48 1.293 6.013 1.062 380 HD11 ILE 48 HD11 ILE 48 -1.164 3.822 2.517 381 HD12 ILE 48 HD12 ILE 48 -0.463 5.303 1.866 382 HD13 ILE 48 HD13 ILE 48 -0.987 5.240 3.550 383 H LYS 49 HN LYS 49 2.823 2.579 4.545 384 HA LYS 49 HA LYS 49 4.996 1.373 3.004 385 HB2 LYS 49 HB2 LYS 49 2.846 0.217 4.793 386 HB3 LYS 49 HB1 LYS 49 4.094 -0.759 4.016 387 HG2 LYS 49 HG2 LYS 49 5.839 0.583 5.125 388 HG3 LYS 49 HG1 LYS 49 4.593 1.562 5.901 389 HD2 LYS 49 HD2 LYS 49 3.710 -0.459 7.019 390 HD3 LYS 49 HD1 LYS 49 4.981 -1.423 6.265 391 HE2 LYS 49 HE2 LYS 49 5.437 0.920 8.135 392 HE3 LYS 49 HE1 LYS 49 5.599 -0.781 8.572 393 HZ1 LYS 49 HZ1 LYS 49 7.065 -0.180 6.214 394 HZ2 LYS 49 HZ2 LYS 49 7.609 -0.853 7.675 395 HZ3 LYS 49 HZ3 LYS 49 7.541 0.835 7.486 396 H PHE 50 HN PHE 50 4.485 -0.625 1.533 397 HA PHE 50 HA PHE 50 1.797 -0.639 0.399 398 HB2 PHE 50 HB2 PHE 50 2.408 -0.011 -1.833 399 HB3 PHE 50 HB1 PHE 50 3.064 1.245 -0.787 400 HD1 PHE 50 HD1 PHE 50 3.927 -1.827 -2.693 401 HD2 PHE 50 HD2 PHE 50 5.414 1.632 -0.626 402 HE1 PHE 50 HE1 PHE 50 6.193 -2.256 -3.607 403 HE2 PHE 50 HE2 PHE 50 7.679 1.203 -1.538 404 HZ PHE 50 HZ PHE 50 8.068 -0.740 -3.030 405 H THR 51 HN THR 51 1.462 -2.602 -0.776 406 HA THR 51 HA THR 51 3.786 -4.505 -0.852 407 HB THR 51 HB THR 51 0.974 -5.177 0.068 408 HG1 THR 51 HG1 THR 51 1.725 -4.389 1.859 409 HG21 THR 51 HG21 THR 51 3.515 -6.761 -0.293 410 HG22 THR 51 HG22 THR 51 1.905 -7.116 -0.922 411 HG23 THR 51 HG23 THR 51 2.240 -7.300 0.800 412 H ILE 52 HN ILE 52 3.951 -5.570 -2.763 413 HA ILE 52 HA ILE 52 1.718 -5.268 -4.744 414 HB ILE 52 HB ILE 52 4.635 -5.963 -5.200 415 HG12 ILE 52 HG12 ILE 52 3.147 -3.377 -5.727 416 HG13 ILE 52 HG11 ILE 52 4.181 -3.648 -4.327 417 HG21 ILE 52 HG21 ILE 52 2.348 -5.295 -7.079 418 HG22 ILE 52 HG22 ILE 52 3.183 -6.843 -6.952 419 HG23 ILE 52 HG23 ILE 52 4.036 -5.429 -7.573 420 HD11 ILE 52 HD11 ILE 52 6.114 -3.991 -5.746 421 HD12 ILE 52 HD12 ILE 52 5.343 -2.477 -6.218 422 HD13 ILE 52 HD13 ILE 52 5.112 -3.927 -7.196 423 H TRP 53 HN TRP 53 0.567 -7.083 -5.283 424 HA TRP 53 HA TRP 53 1.366 -9.656 -4.133 425 HB2 TRP 53 HB2 TRP 53 -0.991 -8.766 -5.809 426 HB3 TRP 53 HB1 TRP 53 -0.789 -10.412 -5.206 427 HD1 TRP 53 HD1 TRP 53 -2.055 -7.072 -4.217 428 HE1 TRP 53 HE1 TRP 53 -2.676 -7.056 -1.714 429 HE3 TRP 53 HE3 TRP 53 0.069 -11.472 -2.766 430 HZ2 TRP 53 HZ2 TRP 53 -2.313 -8.703 0.601 431 HZ3 TRP 53 HZ3 TRP 53 -0.077 -12.229 -0.412 432 HH2 TRP 53 HH2 TRP 53 -1.265 -10.850 1.273 433 H LYS 54 HN LYS 54 2.120 -11.427 -5.253 434 HA LYS 54 HA LYS 54 3.521 -11.086 -7.689 435 HB2 LYS 54 HB2 LYS 54 3.860 -12.940 -6.016 436 HB3 LYS 54 HB1 LYS 54 2.364 -13.665 -6.592 437 HG2 LYS 54 HG2 LYS 54 4.140 -14.783 -7.740 438 HG3 LYS 54 HG1 LYS 54 3.393 -13.704 -8.915 439 HD2 LYS 54 HD2 LYS 54 5.186 -12.147 -8.792 440 HD3 LYS 54 HD1 LYS 54 5.800 -12.844 -7.293 441 HE2 LYS 54 HE2 LYS 54 7.220 -13.545 -9.145 442 HE3 LYS 54 HE1 LYS 54 6.327 -14.944 -8.552 443 HZ1 LYS 54 HZ1 LYS 54 5.440 -13.266 -10.830 444 HZ2 LYS 54 HZ2 LYS 54 4.781 -14.748 -10.325 445 HZ3 LYS 54 HZ3 LYS 54 6.336 -14.694 -11.009 446 H ASN 55 HN ASN 55 0.206 -12.071 -7.056 447 HA ASN 55 HA ASN 55 -0.400 -13.046 -9.674 448 HB2 ASN 55 HB2 ASN 55 -2.267 -11.678 -7.715 449 HB3 ASN 55 HB1 ASN 55 -2.733 -12.759 -9.029 450 HD21 ASN 55 HD21 ASN 55 -2.508 -12.828 -5.784 451 HD22 ASN 55 HD22 ASN 55 -1.996 -14.426 -5.534 452 H ALA 56 HN ALA 56 0.472 -9.947 -8.708 453 HA ALA 56 HA ALA 56 -1.226 -8.527 -10.665 454 HB1 ALA 56 HB1 ALA 56 -0.423 -7.608 -8.378 455 HB2 ALA 56 HB2 ALA 56 -0.311 -6.534 -9.771 456 HB3 ALA 56 HB3 ALA 56 1.131 -7.360 -9.174 457 H GLU 57 HN GLU 57 2.053 -9.745 -10.329 458 HA GLU 57 HA GLU 57 3.854 -9.793 -11.833 459 HB2 GLU 57 HB2 GLU 57 1.490 -9.963 -13.726 460 HB3 GLU 57 HB1 GLU 57 3.160 -10.277 -14.198 461 HG2 GLU 57 HG2 GLU 57 1.728 -11.741 -11.966 462 HG3 GLU 57 HG1 GLU 57 1.881 -12.359 -13.611 463 H LEU 58 HN LEU 58 3.564 -7.263 -11.001 464 HA LEU 58 HA LEU 58 3.426 -5.540 -13.422 465 HB2 LEU 58 HB2 LEU 58 3.614 -4.717 -10.519 466 HB3 LEU 58 HB1 LEU 58 3.248 -3.666 -11.888 467 HG LEU 58 HG LEU 58 1.561 -6.036 -11.042 468 HD11 LEU 58 HD11 LEU 58 1.427 -4.320 -9.339 469 HD12 LEU 58 HD12 LEU 58 -0.046 -4.240 -10.305 470 HD13 LEU 58 HD13 LEU 58 1.241 -3.061 -10.560 471 HD21 LEU 58 HD21 LEU 58 -0.115 -4.727 -12.548 472 HD22 LEU 58 HD22 LEU 58 1.139 -5.675 -13.338 473 HD23 LEU 58 HD23 LEU 58 1.319 -3.926 -13.191 474 HA PRO 59 HA PRO 59 7.837 -5.033 -13.759 475 HB2 PRO 59 HB2 PRO 59 7.431 -2.066 -13.739 476 HB3 PRO 59 HB1 PRO 59 8.253 -3.083 -14.939 477 HG2 PRO 59 HG2 PRO 59 5.825 -2.036 -15.386 478 HG3 PRO 59 HG1 PRO 59 6.298 -3.624 -16.015 479 HD2 PRO 59 HD2 PRO 59 4.457 -2.970 -13.754 480 HD3 PRO 59 HD1 PRO 59 4.452 -4.353 -14.871 481 H LEU 60 HN LEU 60 9.669 -4.559 -12.453 482 HA LEU 60 HA LEU 60 9.204 -4.247 -9.641 483 HB2 LEU 60 HB2 LEU 60 11.828 -3.842 -11.093 484 HB3 LEU 60 HB1 LEU 60 11.592 -4.389 -9.433 485 HG LEU 60 HG LEU 60 10.801 -5.883 -11.950 486 HD11 LEU 60 HD11 LEU 60 12.445 -7.565 -10.942 487 HD12 LEU 60 HD12 LEU 60 12.960 -6.262 -9.869 488 HD13 LEU 60 HD13 LEU 60 13.149 -6.094 -11.614 489 HD21 LEU 60 HD21 LEU 60 10.332 -7.726 -10.190 490 HD22 LEU 60 HD22 LEU 60 9.137 -6.443 -10.361 491 HD23 LEU 60 HD23 LEU 60 10.282 -6.408 -9.023 492 H LEU 61 HN LEU 61 9.342 -2.465 -8.336 493 HA LEU 61 HA LEU 61 9.316 0.173 -9.610 494 HB2 LEU 61 HB2 LEU 61 8.932 -0.851 -6.794 495 HB3 LEU 61 HB1 LEU 61 9.053 0.878 -7.127 496 HG LEU 61 HG LEU 61 7.177 0.690 -8.733 497 HD11 LEU 61 HD11 LEU 61 7.276 -1.526 -9.544 498 HD12 LEU 61 HD12 LEU 61 5.844 -1.533 -8.516 499 HD13 LEU 61 HD13 LEU 61 7.357 -2.215 -7.922 500 HD21 LEU 61 HD21 LEU 61 6.728 1.240 -6.365 501 HD22 LEU 61 HD22 LEU 61 6.584 -0.478 -5.992 502 HD23 LEU 61 HD23 LEU 61 5.406 0.297 -7.053 503 H GLU 62 HN GLU 62 10.876 1.788 -9.311 504 HA GLU 62 HA GLU 62 13.532 0.844 -8.306 505 HB2 GLU 62 HB2 GLU 62 12.753 3.042 -10.237 506 HB3 GLU 62 HB1 GLU 62 14.398 2.793 -9.652 507 HG2 GLU 62 HG2 GLU 62 14.424 0.531 -10.563 508 HG3 GLU 62 HG1 GLU 62 12.740 0.683 -11.061 509 H GLN 63 HN GLN 63 14.473 1.835 -6.629 510 HA GLN 63 HA GLN 63 12.937 3.667 -4.986 511 HB2 GLN 63 HB2 GLN 63 14.863 3.603 -3.466 512 HB3 GLN 63 HB1 GLN 63 14.433 1.974 -3.996 513 HG2 GLN 63 HG2 GLN 63 16.132 2.416 -5.908 514 HG3 GLN 63 HG1 GLN 63 16.748 3.687 -4.858 515 HE21 GLN 63 HE21 GLN 63 15.974 0.173 -4.813 516 HE22 GLN 63 HE22 GLN 63 17.180 -0.232 -3.690 517 H GLY 64 HN GLY 64 13.365 5.795 -4.537 518 HA2 GLY 64 HA2 GLY 64 14.300 7.949 -4.782 519 HA3 GLY 64 HA1 GLY 64 15.557 7.248 -5.803 520 H GLU 65 HN GLU 65 13.008 5.957 -7.219 521 HA GLU 65 HA GLU 65 12.786 8.177 -9.185 522 HB2 GLU 65 HB2 GLU 65 13.428 5.814 -9.858 523 HB3 GLU 65 HB1 GLU 65 11.780 5.339 -9.457 524 HG2 GLU 65 HG2 GLU 65 11.827 5.797 -11.816 525 HG3 GLU 65 HG1 GLU 65 10.977 7.139 -11.052 526 H SER 66 HN SER 66 10.788 8.911 -9.941 527 HA SER 66 HA SER 66 8.610 8.845 -7.972 528 HB2 SER 66 HB2 SER 66 9.108 10.385 -10.507 529 HB3 SER 66 HB1 SER 66 7.536 10.426 -9.708 530 HG SER 66 HG SER 66 9.282 12.037 -9.121 531 H TYR 67 HN TYR 67 6.573 7.942 -8.321 532 HA TYR 67 HA TYR 67 6.085 6.536 -10.901 533 HB2 TYR 67 HB2 TYR 67 6.215 5.259 -8.163 534 HB3 TYR 67 HB1 TYR 67 5.210 4.566 -9.434 535 HD1 TYR 67 HD2 TYR 67 6.398 4.324 -11.793 536 HD2 TYR 67 HD1 TYR 67 8.450 4.565 -8.028 537 HE1 TYR 67 HE2 TYR 67 8.384 3.242 -12.807 538 HE2 TYR 67 HE1 TYR 67 10.432 3.485 -9.042 539 HH TYR 67 HH TYR 67 11.240 3.382 -11.848 540 H LEU 68 HN LEU 68 3.932 6.179 -11.327 541 HA LEU 68 HA LEU 68 1.984 7.714 -9.637 542 HB2 LEU 68 HB2 LEU 68 2.198 8.606 -11.909 543 HB3 LEU 68 HB1 LEU 68 1.913 7.009 -12.584 544 HG LEU 68 HG LEU 68 -0.349 6.985 -11.692 545 HD11 LEU 68 HD11 LEU 68 -0.279 8.147 -9.648 546 HD12 LEU 68 HD12 LEU 68 -1.181 9.241 -10.695 547 HD13 LEU 68 HD13 LEU 68 0.527 9.542 -10.367 548 HD21 LEU 68 HD21 LEU 68 0.224 8.194 -13.871 549 HD22 LEU 68 HD22 LEU 68 0.079 9.695 -12.953 550 HD23 LEU 68 HD23 LEU 68 -1.315 8.628 -13.126 551 H LEU 69 HN LEU 69 0.371 6.535 -8.672 552 HA LEU 69 HA LEU 69 0.045 3.665 -9.496 553 HB2 LEU 69 HB2 LEU 69 -0.562 4.963 -6.826 554 HB3 LEU 69 HB1 LEU 69 -0.580 3.240 -7.199 555 HG LEU 69 HG LEU 69 1.857 5.031 -7.346 556 HD11 LEU 69 HD11 LEU 69 1.286 4.704 -5.044 557 HD12 LEU 69 HD12 LEU 69 2.589 3.571 -5.400 558 HD13 LEU 69 HD13 LEU 69 0.923 2.998 -5.308 559 HD21 LEU 69 HD21 LEU 69 1.350 2.122 -7.977 560 HD22 LEU 69 HD22 LEU 69 2.944 2.644 -7.434 561 HD23 LEU 69 HD23 LEU 69 2.255 3.318 -8.907 562 H ARG 70 HN ARG 70 -1.797 3.407 -10.636 563 HA ARG 70 HA ARG 70 -4.178 5.115 -9.953 564 HB2 ARG 70 HB2 ARG 70 -3.543 3.664 -12.537 565 HB3 ARG 70 HB1 ARG 70 -4.936 4.707 -12.244 566 HG2 ARG 70 HG2 ARG 70 -3.374 6.592 -11.764 567 HG3 ARG 70 HG1 ARG 70 -2.030 5.531 -12.183 568 HD2 ARG 70 HD2 ARG 70 -4.318 6.187 -14.051 569 HD3 ARG 70 HD1 ARG 70 -2.747 6.989 -14.084 570 HE ARG 70 HE ARG 70 -2.270 4.202 -14.232 571 HH11 ARG 70 HH21 ARG 70 -3.773 6.748 -16.007 572 HH12 ARG 70 HH22 ARG 70 -3.479 6.021 -17.552 573 HH21 ARG 70 HH11 ARG 70 -1.881 3.240 -16.235 574 HH22 ARG 70 HH12 ARG 70 -2.408 4.035 -17.680 575 H SER 71 HN SER 71 -6.172 4.130 -9.672 576 HA SER 71 HA SER 71 -7.653 2.452 -9.028 577 HB2 SER 71 HB2 SER 71 -7.739 1.689 -11.242 578 HB3 SER 71 HB1 SER 71 -6.070 1.138 -11.225 579 HG SER 71 HG SER 71 -8.313 -0.192 -10.584 580 H VAL 72 HN VAL 72 -5.986 2.720 -7.029 581 HA VAL 72 HA VAL 72 -4.983 -0.036 -6.363 582 HB VAL 72 HB VAL 72 -3.619 1.252 -4.596 583 HG11 VAL 72 HG11 VAL 72 -1.817 1.618 -6.133 584 HG12 VAL 72 HG12 VAL 72 -2.927 1.854 -7.482 585 HG13 VAL 72 HG13 VAL 72 -2.739 0.256 -6.762 586 HG21 VAL 72 HG21 VAL 72 -4.902 3.373 -4.827 587 HG22 VAL 72 HG22 VAL 72 -4.289 3.541 -6.472 588 HG23 VAL 72 HG23 VAL 72 -3.176 3.606 -5.104 589 H VAL 73 HN VAL 73 -5.157 -0.537 -4.009 590 HA VAL 73 HA VAL 73 -7.619 0.682 -2.787 591 HB VAL 73 HB VAL 73 -8.235 -1.475 -3.694 592 HG11 VAL 73 HG11 VAL 73 -7.004 -3.536 -2.877 593 HG12 VAL 73 HG12 VAL 73 -5.752 -2.456 -2.267 594 HG13 VAL 73 HG13 VAL 73 -6.096 -2.520 -3.995 595 HG21 VAL 73 HG21 VAL 73 -9.068 -2.515 -1.721 596 HG22 VAL 73 HG22 VAL 73 -8.929 -0.805 -1.316 597 HG23 VAL 73 HG23 VAL 73 -7.707 -1.947 -0.754 598 H VAL 74 HN VAL 74 -7.669 0.684 -0.513 599 HA VAL 74 HA VAL 74 -4.966 0.718 0.739 600 HB VAL 74 HB VAL 74 -7.637 1.701 1.783 601 HG11 VAL 74 HG11 VAL 74 -6.171 1.221 3.632 602 HG12 VAL 74 HG12 VAL 74 -6.107 2.965 3.370 603 HG13 VAL 74 HG13 VAL 74 -4.793 1.937 2.799 604 HG21 VAL 74 HG21 VAL 74 -6.580 3.950 1.295 605 HG22 VAL 74 HG22 VAL 74 -6.959 3.001 -0.143 606 HG23 VAL 74 HG23 VAL 74 -5.298 3.091 0.441 607 H GLY 75 HN GLY 75 -4.338 -0.815 2.215 608 HA2 GLY 75 HA2 GLY 75 -6.383 -2.832 3.089 609 HA3 GLY 75 HA1 GLY 75 -4.674 -3.187 2.843 610 H GLU 76 HN GLU 76 -6.171 -3.621 5.290 611 HA GLU 76 HA GLU 76 -5.023 -1.572 7.144 612 HB2 GLU 76 HB2 GLU 76 -7.446 -2.171 7.347 613 HB3 GLU 76 HB1 GLU 76 -6.967 -3.829 7.714 614 HG2 GLU 76 HG2 GLU 76 -5.709 -3.050 9.675 615 HG3 GLU 76 HG1 GLU 76 -6.144 -1.382 9.305 616 H TYR 77 HN TYR 77 -3.071 -2.085 7.977 617 HA TYR 77 HA TYR 77 -2.507 -4.940 8.694 618 HB2 TYR 77 HB2 TYR 77 -1.404 -4.435 6.541 619 HB3 TYR 77 HB1 TYR 77 -0.583 -3.064 7.287 620 HD1 TYR 77 HD1 TYR 77 -0.947 -6.765 7.375 621 HD2 TYR 77 HD2 TYR 77 1.354 -3.369 8.645 622 HE1 TYR 77 HE1 TYR 77 0.842 -8.281 8.186 623 HE2 TYR 77 HE2 TYR 77 3.142 -4.882 9.456 624 HH TYR 77 HH TYR 77 2.728 -8.399 9.423 625 H ASN 78 HN ASN 78 -2.135 -4.993 10.824 626 HA ASN 78 HA ASN 78 -1.510 -4.338 12.980 627 HB2 ASN 78 HB2 ASN 78 0.703 -3.017 11.386 628 HB3 ASN 78 HB1 ASN 78 0.726 -3.265 13.133 629 HD21 ASN 78 HD21 ASN 78 -0.855 -5.917 12.514 630 HD22 ASN 78 HD22 ASN 78 0.378 -6.998 12.083 631 H ASP 79 HN ASP 79 -3.579 -2.861 12.322 632 HA ASP 79 HA ASP 79 -4.691 -0.842 12.715 633 HB2 ASP 79 HB2 ASP 79 -2.251 -0.475 14.475 634 HB3 ASP 79 HB1 ASP 79 -3.616 0.639 14.461 635 H ARG 80 HN ARG 80 -1.789 -0.925 11.046 636 HA ARG 80 HA ARG 80 -1.789 2.011 10.494 637 HB2 ARG 80 HB2 ARG 80 0.348 0.718 11.073 638 HB3 ARG 80 HB1 ARG 80 0.199 -0.027 9.480 639 HG2 ARG 80 HG2 ARG 80 0.221 2.182 8.417 640 HG3 ARG 80 HG1 ARG 80 0.307 2.959 9.999 641 HD2 ARG 80 HD2 ARG 80 2.447 1.674 10.408 642 HD3 ARG 80 HD1 ARG 80 2.391 1.173 8.718 643 HE ARG 80 HE ARG 80 2.982 3.884 9.706 644 HH11 ARG 80 HH21 ARG 80 2.109 1.817 7.076 645 HH12 ARG 80 HH22 ARG 80 2.649 2.928 5.862 646 HH21 ARG 80 HH11 ARG 80 3.675 5.332 8.142 647 HH22 ARG 80 HH12 ARG 80 3.538 4.918 6.467 648 H PHE 81 HN PHE 81 -2.548 2.769 8.596 649 HA PHE 81 HA PHE 81 -3.818 0.930 6.723 650 HB2 PHE 81 HB2 PHE 81 -3.373 3.906 6.372 651 HB3 PHE 81 HB1 PHE 81 -4.632 2.914 5.635 652 HD1 PHE 81 HD1 PHE 81 -5.760 1.337 7.778 653 HD2 PHE 81 HD2 PHE 81 -4.340 5.395 7.911 654 HE1 PHE 81 HE1 PHE 81 -7.219 1.785 9.719 655 HE2 PHE 81 HE2 PHE 81 -5.802 5.834 9.861 656 HZ PHE 81 HZ PHE 81 -7.241 4.032 10.764 657 H GLN 82 HN GLN 82 -3.175 0.530 4.591 658 HA GLN 82 HA GLN 82 -0.613 1.684 3.635 659 HB2 GLN 82 HB2 GLN 82 0.372 -0.518 3.196 660 HB3 GLN 82 HB1 GLN 82 0.021 -0.349 4.915 661 HG2 GLN 82 HG2 GLN 82 -2.113 -1.584 4.575 662 HG3 GLN 82 HG1 GLN 82 -1.689 -1.812 2.879 663 HE21 GLN 82 HE21 GLN 82 1.214 -1.883 4.506 664 HE22 GLN 82 HE22 GLN 82 1.345 -3.555 4.766 665 H VAL 83 HN VAL 83 -0.219 1.114 1.330 666 HA VAL 83 HA VAL 83 -2.817 0.806 -0.124 667 HB VAL 83 HB VAL 83 -1.304 1.674 -2.073 668 HG11 VAL 83 HG11 VAL 83 -3.064 3.040 -1.098 669 HG12 VAL 83 HG12 VAL 83 -1.618 4.033 -1.274 670 HG13 VAL 83 HG13 VAL 83 -2.063 3.396 0.309 671 HG21 VAL 83 HG21 VAL 83 0.301 2.764 0.247 672 HG22 VAL 83 HG22 VAL 83 0.698 2.790 -1.472 673 HG23 VAL 83 HG23 VAL 83 0.772 1.278 -0.573 674 H GLN 84 HN GLN 84 -3.185 -1.150 -0.968 675 HA GLN 84 HA GLN 84 -0.887 -2.985 -1.504 676 HB2 GLN 84 HB2 GLN 84 -3.871 -3.474 -1.273 677 HB3 GLN 84 HB1 GLN 84 -2.693 -4.720 -1.684 678 HG2 GLN 84 HG2 GLN 84 -1.520 -4.334 0.440 679 HG3 GLN 84 HG1 GLN 84 -2.668 -3.060 0.852 680 HE21 GLN 84 HE21 GLN 84 -2.849 -4.797 2.766 681 HE22 GLN 84 HE22 GLN 84 -4.079 -5.950 2.568 682 H VAL 85 HN VAL 85 -0.308 -3.417 -3.574 683 HA VAL 85 HA VAL 85 -1.973 -2.292 -5.772 684 HB VAL 85 HB VAL 85 0.825 -3.438 -5.894 685 HG11 VAL 85 HG11 VAL 85 -0.469 -3.252 -8.025 686 HG12 VAL 85 HG12 VAL 85 0.953 -2.210 -7.990 687 HG13 VAL 85 HG13 VAL 85 -0.647 -1.525 -7.719 688 HG21 VAL 85 HG21 VAL 85 -0.092 -0.570 -5.515 689 HG22 VAL 85 HG22 VAL 85 1.573 -1.070 -5.810 690 HG23 VAL 85 HG23 VAL 85 0.759 -1.548 -4.320 691 H ASN 86 HN ASN 86 -3.058 -3.651 -7.161 692 HA ASN 86 HA ASN 86 -2.437 -6.587 -7.029 693 HB2 ASN 86 HB2 ASN 86 -4.900 -6.909 -7.457 694 HB3 ASN 86 HB1 ASN 86 -4.526 -6.222 -5.876 695 HD21 ASN 86 HD21 ASN 86 -6.538 -5.048 -5.674 696 HD22 ASN 86 HD22 ASN 86 -6.917 -3.725 -6.668 697 H LYS 87 HN LYS 87 -4.001 -7.495 -9.015 698 HA LYS 87 HA LYS 87 -2.574 -6.754 -11.394 699 HB2 LYS 87 HB2 LYS 87 -4.200 -8.273 -12.514 700 HB3 LYS 87 HB1 LYS 87 -3.494 -9.000 -11.069 701 HG2 LYS 87 HG2 LYS 87 -5.487 -8.275 -9.762 702 HG3 LYS 87 HG1 LYS 87 -6.205 -7.648 -11.247 703 HD2 LYS 87 HD2 LYS 87 -6.143 -9.901 -12.240 704 HD3 LYS 87 HD1 LYS 87 -5.406 -10.535 -10.768 705 HE2 LYS 87 HE2 LYS 87 -7.393 -9.850 -9.473 706 HE3 LYS 87 HE1 LYS 87 -8.133 -9.219 -10.943 707 HZ1 LYS 87 HZ1 LYS 87 -7.392 -12.041 -10.399 708 HZ2 LYS 87 HZ2 LYS 87 -7.960 -11.469 -11.895 709 HZ3 LYS 87 HZ3 LYS 87 -8.962 -11.410 -10.524 710 H ASN 88 HN ASN 88 -5.557 -5.626 -9.960 711 HA ASN 88 HA ASN 88 -6.537 -4.391 -12.425 712 HB2 ASN 88 HB2 ASN 88 -7.362 -4.060 -9.525 713 HB3 ASN 88 HB1 ASN 88 -8.213 -3.348 -10.896 714 HD21 ASN 88 HD21 ASN 88 -8.800 -5.696 -8.858 715 HD22 ASN 88 HD22 ASN 88 -9.384 -6.923 -9.875 716 H SER 89 HN SER 89 -4.140 -3.607 -10.173 717 HA SER 89 HA SER 89 -4.482 -0.677 -10.412 718 HB2 SER 89 HB2 SER 89 -2.461 -2.421 -8.991 719 HB3 SER 89 HB1 SER 89 -2.305 -0.669 -9.091 720 HG SER 89 HG SER 89 -4.067 -2.234 -7.644 721 H SER 90 HN SER 90 -2.582 0.636 -11.182 722 HA SER 90 HA SER 90 -0.944 -0.753 -13.267 723 HB2 SER 90 HB2 SER 90 -2.584 1.775 -13.594 724 HB3 SER 90 HB1 SER 90 -1.348 1.253 -14.738 725 HG SER 90 HG SER 90 -3.380 0.489 -15.373 726 H ILE 91 HN ILE 91 1.045 0.495 -13.815 727 HA ILE 91 HA ILE 91 1.752 2.618 -11.844 728 HB ILE 91 HB ILE 91 3.411 0.170 -12.519 729 HG12 ILE 91 HG12 ILE 91 2.386 1.142 -9.837 730 HG13 ILE 91 HG11 ILE 91 1.559 -0.075 -10.806 731 HG21 ILE 91 HG21 ILE 91 4.921 2.009 -12.385 732 HG22 ILE 91 HG22 ILE 91 4.980 1.239 -10.800 733 HG23 ILE 91 HG23 ILE 91 4.051 2.721 -11.027 734 HD11 ILE 91 HD11 ILE 91 3.099 -1.026 -9.050 735 HD12 ILE 91 HD12 ILE 91 4.446 -0.321 -9.942 736 HD13 ILE 91 HD13 ILE 91 3.448 -1.564 -10.693 737 H GLU 92 HN GLU 92 2.663 4.330 -12.911 738 HA GLU 92 HA GLU 92 3.902 3.826 -15.609 739 HB2 GLU 92 HB2 GLU 92 2.219 6.198 -14.734 740 HB3 GLU 92 HB1 GLU 92 3.021 6.038 -16.294 741 HG2 GLU 92 HG2 GLU 92 0.941 4.113 -15.224 742 HG3 GLU 92 HG1 GLU 92 0.611 5.401 -16.382 743 H LYS 93 HN LYS 93 5.967 4.538 -15.731 744 HA LYS 93 HA LYS 93 7.277 5.753 -13.477 745 HB2 LYS 93 HB2 LYS 93 8.437 4.305 -15.115 746 HB3 LYS 93 HB1 LYS 93 8.186 5.525 -16.363 747 HG2 LYS 93 HG2 LYS 93 9.521 7.140 -15.074 748 HG3 LYS 93 HG1 LYS 93 9.749 5.944 -13.797 749 HD2 LYS 93 HD2 LYS 93 10.884 4.448 -15.403 750 HD3 LYS 93 HD1 LYS 93 10.671 5.654 -16.672 751 HE2 LYS 93 HE2 LYS 93 12.009 7.266 -15.372 752 HE3 LYS 93 HE1 LYS 93 12.218 6.067 -14.097 753 HZ1 LYS 93 HZ1 LYS 93 12.976 5.413 -16.863 754 HZ2 LYS 93 HZ2 LYS 93 13.569 4.772 -15.405 755 HZ3 LYS 93 HZ3 LYS 93 14.027 6.332 -15.899 756 H LEU 94 HN LEU 94 7.744 7.903 -13.073 757 HA LEU 94 HA LEU 94 6.501 9.904 -14.919 758 HB2 LEU 94 HB2 LEU 94 7.357 10.122 -12.024 759 HB3 LEU 94 HB1 LEU 94 6.612 11.418 -12.958 760 HG LEU 94 HG LEU 94 5.352 8.702 -12.481 761 HD11 LEU 94 HD11 LEU 94 5.384 9.773 -10.367 762 HD12 LEU 94 HD12 LEU 94 3.787 10.115 -11.028 763 HD13 LEU 94 HD13 LEU 94 5.041 11.354 -11.071 764 HD21 LEU 94 HD21 LEU 94 4.295 9.493 -14.400 765 HD22 LEU 94 HD22 LEU 94 4.530 11.187 -13.971 766 HD23 LEU 94 HD23 LEU 94 3.283 10.236 -13.167 767 H SER 95 HN SER 95 7.724 11.365 -15.953 768 HA SER 95 HA SER 95 10.651 11.113 -15.793 769 HB2 SER 95 HB2 SER 95 10.672 12.580 -17.727 770 HB3 SER 95 HB1 SER 95 9.432 11.353 -17.977 771 HG SER 95 HG SER 95 8.919 13.893 -16.825 772 H GLU 96 HN GLU 96 8.375 12.825 -14.063 773 HA GLU 96 HA GLU 96 10.161 15.194 -13.732 774 HB2 GLU 96 HB2 GLU 96 7.747 15.564 -14.386 775 HB3 GLU 96 HB1 GLU 96 7.299 14.921 -12.806 776 HG2 GLU 96 HG2 GLU 96 7.404 17.316 -12.581 777 HG3 GLU 96 HG1 GLU 96 8.827 16.656 -11.775 778 HA PRO 97 HA PRO 97 11.027 13.264 -9.729 779 HB2 PRO 97 HB2 PRO 97 12.718 15.142 -8.709 780 HB3 PRO 97 HB1 PRO 97 13.207 14.019 -9.995 781 HG2 PRO 97 HG2 PRO 97 12.359 16.876 -10.200 782 HG3 PRO 97 HG1 PRO 97 13.660 16.023 -11.050 783 HD2 PRO 97 HD2 PRO 97 11.200 16.536 -12.180 784 HD3 PRO 97 HD1 PRO 97 12.231 15.172 -12.662 785 H ILE 98 HN ILE 98 10.373 13.544 -7.548 786 HA ILE 98 HA ILE 98 8.553 15.879 -7.042 787 HB ILE 98 HB ILE 98 8.536 13.083 -5.862 788 HG12 ILE 98 HG12 ILE 98 6.502 14.478 -7.624 789 HG13 ILE 98 HG11 ILE 98 7.748 13.401 -8.254 790 HG21 ILE 98 HG21 ILE 98 6.842 15.543 -5.349 791 HG22 ILE 98 HG22 ILE 98 7.776 14.617 -4.174 792 HG23 ILE 98 HG23 ILE 98 6.329 13.916 -4.897 793 HD11 ILE 98 HD11 ILE 98 5.669 12.641 -6.184 794 HD12 ILE 98 HD12 ILE 98 6.895 11.568 -6.861 795 HD13 ILE 98 HD13 ILE 98 5.613 12.204 -7.892 796 H GLU 99 HN GLU 99 9.010 17.178 -5.307 797 HA GLU 99 HA GLU 99 11.403 16.455 -3.655 798 HB2 GLU 99 HB2 GLU 99 10.113 19.126 -4.280 799 HB3 GLU 99 HB1 GLU 99 11.449 18.914 -3.148 800 HG2 GLU 99 HG2 GLU 99 11.525 18.099 -6.068 801 HG3 GLU 99 HG1 GLU 99 12.213 19.592 -5.429 802 H VAL 100 HN VAL 100 11.020 15.846 -1.633 803 HA VAL 100 HA VAL 100 8.417 16.582 -0.339 804 HB VAL 100 HB VAL 100 8.880 14.664 1.157 805 HG11 VAL 100 HG11 VAL 100 8.754 12.867 -0.617 806 HG12 VAL 100 HG12 VAL 100 9.059 14.121 -1.819 807 HG13 VAL 100 HG13 VAL 100 7.598 14.179 -0.832 808 HG21 VAL 100 HG21 VAL 100 11.311 14.717 1.168 809 HG22 VAL 100 HG22 VAL 100 11.363 14.407 -0.568 810 HG23 VAL 100 HG23 VAL 100 10.795 13.153 0.534 811 H GLY 101 HN GLY 101 11.663 17.383 -0.450 812 HA2 GLY 101 HA2 GLY 101 11.882 18.108 2.420 813 HA3 GLY 101 HA1 GLY 101 13.177 18.202 1.225 814 H LEU 102 HN LEU 102 13.416 20.405 2.207 815 HA LEU 102 HA LEU 102 12.985 22.727 2.284 816 HB2 LEU 102 HB2 LEU 102 12.609 21.885 -0.594 817 HB3 LEU 102 HB1 LEU 102 12.475 23.579 -0.120 818 HG LEU 102 HG LEU 102 14.734 23.471 0.891 819 HD11 LEU 102 HD11 LEU 102 16.107 21.389 0.196 820 HD12 LEU 102 HD12 LEU 102 14.546 20.608 -0.055 821 HD13 LEU 102 HD13 LEU 102 14.985 21.210 1.543 822 HD21 LEU 102 HD21 LEU 102 14.692 22.451 -1.970 823 HD22 LEU 102 HD22 LEU 102 15.993 23.362 -1.204 824 HD23 LEU 102 HD23 LEU 102 14.435 24.131 -1.498 825 H GLU 103 HN GLU 103 11.011 22.029 3.614 826 HA GLU 103 HA GLU 103 8.400 22.158 2.367 827 HB2 GLU 103 HB2 GLU 103 9.293 22.347 5.259 828 HB3 GLU 103 HB1 GLU 103 7.607 22.243 4.749 829 HG2 GLU 103 HG2 GLU 103 9.732 20.197 4.042 830 HG3 GLU 103 HG1 GLU 103 8.591 20.019 5.375 831 H HIS 104 HN HIS 104 7.166 23.930 1.974 832 HA HIS 104 HA HIS 104 6.653 26.211 1.722 833 HB2 HIS 104 HB2 HIS 104 7.504 26.080 4.629 834 HB3 HIS 104 HB1 HIS 104 6.719 27.481 3.899 835 HD1 HIS 104 HD1 HIS 104 6.081 23.871 4.803 836 HD2 HIS 104 HD2 HIS 104 3.947 27.187 3.449 837 HE1 HIS 104 HE1 HIS 104 3.629 23.255 4.949 838 H HIS 105 HN HIS 105 9.082 26.963 4.135 839 HA HIS 105 HA HIS 105 10.969 27.899 2.014 840 HB2 HIS 105 HB2 HIS 105 9.925 29.549 4.339 841 HB3 HIS 105 HB1 HIS 105 11.278 30.019 3.309 842 HD1 HIS 105 HD1 HIS 105 7.549 29.432 3.201 843 HD2 HIS 105 HD2 HIS 105 10.548 31.006 0.773 844 HE1 HIS 105 HE1 HIS 105 6.379 30.554 1.256 845 H HIS 106 HN HIS 106 12.946 28.940 3.525 846 HA HIS 106 HA HIS 106 14.126 26.618 4.740 847 HB2 HIS 106 HB2 HIS 106 14.903 29.546 4.838 848 HB3 HIS 106 HB1 HIS 106 15.900 28.241 5.482 849 HD1 HIS 106 HD1 HIS 106 14.681 29.727 2.261 850 HD2 HIS 106 HD2 HIS 106 17.092 26.561 3.503 851 HE1 HIS 106 HE1 HIS 106 15.867 28.874 0.192 852 H HIS 107 HN HIS 107 14.171 25.972 6.854 853 HA HIS 107 HA HIS 107 12.292 27.221 8.710 854 HB2 HIS 107 HB2 HIS 107 13.193 25.376 10.253 855 HB3 HIS 107 HB1 HIS 107 12.377 24.844 8.782 856 HD1 HIS 107 HD1 HIS 107 15.681 24.854 10.479 857 HD2 HIS 107 HD2 HIS 107 14.179 23.907 6.706 858 HE1 HIS 107 HE1 HIS 107 17.501 23.556 9.287 859 H HIS 108 HN HIS 108 12.818 28.301 10.634 860 HA HIS 108 HA HIS 108 15.439 29.607 10.672 861 HB2 HIS 108 HB2 HIS 108 13.043 29.783 12.520 862 HB3 HIS 108 HB1 HIS 108 14.503 30.757 12.702 863 HD1 HIS 108 HD1 HIS 108 11.353 31.421 11.637 864 HD2 HIS 108 HD2 HIS 108 14.980 31.677 9.599 865 HE1 HIS 108 HE1 HIS 108 10.983 33.028 9.714 866 H HIS 109 HN HIS 109 17.037 29.318 12.247 867 HA HIS 109 HA HIS 109 17.533 26.762 13.270 868 HB2 HIS 109 HB2 HIS 109 19.175 28.663 13.134 869 HB3 HIS 109 HB1 HIS 109 18.412 29.358 14.564 870 HD1 HIS 109 HD1 HIS 109 18.702 28.074 16.824 871 HD2 HIS 109 HD2 HIS 109 20.811 26.407 13.637 872 HE1 HIS 109 HE1 HIS 109 20.342 26.430 17.832 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -12.850 12.481 -13.952 2 H2 MET 1 HT2 MET 1 -13.439 14.022 -14.354 3 H3 MET 1 HT3 MET 1 -12.030 13.866 -13.417 4 HA MET 1 HA MET 1 -12.231 12.820 -16.182 5 HB2 MET 1 HB2 MET 1 -12.608 15.316 -16.055 6 HB3 MET 1 HB1 MET 1 -11.018 15.453 -15.305 7 HG2 MET 1 HG2 MET 1 -10.720 15.847 -17.663 8 HG3 MET 1 HG1 MET 1 -10.062 14.250 -17.318 9 HE1 MET 1 HE1 MET 1 -13.102 16.282 -18.678 10 HE2 MET 1 HE2 MET 1 -13.315 15.394 -20.185 11 HE3 MET 1 HE3 MET 1 -11.753 16.121 -19.812 12 H GLU 2 HN GLU 2 -9.859 14.558 -14.157 13 HA GLU 2 HA GLU 2 -7.789 12.698 -14.998 14 HB2 GLU 2 HB2 GLU 2 -7.905 15.148 -13.266 15 HB3 GLU 2 HB1 GLU 2 -6.485 14.109 -13.161 16 HG2 GLU 2 HG2 GLU 2 -6.022 14.369 -15.511 17 HG3 GLU 2 HG1 GLU 2 -7.561 15.186 -15.783 18 HA PRO 3 HA PRO 3 -7.901 9.604 -11.802 19 HB2 PRO 3 HB2 PRO 3 -5.087 10.373 -11.072 20 HB3 PRO 3 HB1 PRO 3 -5.749 8.773 -11.460 21 HG2 PRO 3 HG2 PRO 3 -4.255 10.144 -13.206 22 HG3 PRO 3 HG1 PRO 3 -5.591 9.101 -13.721 23 HD2 PRO 3 HD2 PRO 3 -5.446 12.078 -13.690 24 HD3 PRO 3 HD1 PRO 3 -6.416 10.993 -14.711 25 H GLN 4 HN GLN 4 -8.404 9.515 -9.592 26 HA GLN 4 HA GLN 4 -8.605 12.055 -8.167 27 HB2 GLN 4 HB2 GLN 4 -9.259 9.197 -7.402 28 HB3 GLN 4 HB1 GLN 4 -9.560 10.579 -6.347 29 HG2 GLN 4 HG2 GLN 4 -10.999 11.595 -8.055 30 HG3 GLN 4 HG1 GLN 4 -10.663 10.257 -9.154 31 HE21 GLN 4 HE21 GLN 4 -12.896 11.349 -6.885 32 HE22 GLN 4 HE22 GLN 4 -13.632 9.868 -6.507 33 H LEU 5 HN LEU 5 -6.869 12.894 -7.122 34 HA LEU 5 HA LEU 5 -4.665 11.137 -6.245 35 HB2 LEU 5 HB2 LEU 5 -4.982 14.149 -6.039 36 HB3 LEU 5 HB1 LEU 5 -3.490 13.238 -5.804 37 HG LEU 5 HG LEU 5 -5.084 13.333 -8.383 38 HD11 LEU 5 HD11 LEU 5 -4.060 15.482 -7.998 39 HD12 LEU 5 HD12 LEU 5 -3.069 14.632 -9.184 40 HD13 LEU 5 HD13 LEU 5 -2.544 14.731 -7.503 41 HD21 LEU 5 HD21 LEU 5 -3.934 11.283 -8.438 42 HD22 LEU 5 HD22 LEU 5 -2.565 11.908 -7.518 43 HD23 LEU 5 HD23 LEU 5 -2.782 12.371 -9.207 44 H THR 6 HN THR 6 -4.468 10.427 -4.199 45 HA THR 6 HA THR 6 -6.007 11.825 -2.021 46 HB THR 6 HB THR 6 -5.382 8.872 -2.292 47 HG1 THR 6 HG1 THR 6 -7.828 8.983 -2.266 48 HG21 THR 6 HG21 THR 6 -6.768 10.520 -0.170 49 HG22 THR 6 HG22 THR 6 -5.391 9.436 0.028 50 HG23 THR 6 HG23 THR 6 -6.989 8.776 -0.313 51 H LYS 7 HN LYS 7 -4.828 12.350 -0.191 52 HA LYS 7 HA LYS 7 -1.902 11.880 -0.334 53 HB2 LYS 7 HB2 LYS 7 -3.531 13.621 1.539 54 HB3 LYS 7 HB1 LYS 7 -1.780 13.637 1.352 55 HG2 LYS 7 HG2 LYS 7 -3.736 14.275 -0.873 56 HG3 LYS 7 HG1 LYS 7 -2.932 15.492 0.116 57 HD2 LYS 7 HD2 LYS 7 -0.727 14.375 -0.620 58 HD3 LYS 7 HD1 LYS 7 -1.691 13.562 -1.852 59 HE2 LYS 7 HE2 LYS 7 -2.461 15.725 -2.717 60 HE3 LYS 7 HE1 LYS 7 -1.534 16.563 -1.471 61 HZ1 LYS 7 HZ1 LYS 7 0.297 14.924 -2.579 62 HZ2 LYS 7 HZ2 LYS 7 0.091 16.563 -2.977 63 HZ3 LYS 7 HZ3 LYS 7 -0.639 15.356 -3.925 64 H ILE 8 HN ILE 8 -0.765 11.008 1.408 65 HA ILE 8 HA ILE 8 -1.837 8.748 2.685 66 HB ILE 8 HB ILE 8 0.380 10.476 3.822 67 HG12 ILE 8 HG12 ILE 8 0.898 10.200 1.482 68 HG13 ILE 8 HG11 ILE 8 1.890 9.052 2.376 69 HG21 ILE 8 HG21 ILE 8 -0.221 7.508 3.906 70 HG22 ILE 8 HG22 ILE 8 -0.255 8.637 5.260 71 HG23 ILE 8 HG23 ILE 8 1.278 8.228 4.490 72 HD11 ILE 8 HD11 ILE 8 0.009 7.349 1.937 73 HD12 ILE 8 HD12 ILE 8 1.015 7.808 0.561 74 HD13 ILE 8 HD13 ILE 8 -0.588 8.510 0.752 75 H VAL 9 HN VAL 9 -1.427 12.025 3.951 76 HA VAL 9 HA VAL 9 -2.523 11.499 6.555 77 HB VAL 9 HB VAL 9 -1.190 13.530 6.009 78 HG11 VAL 9 HG11 VAL 9 -2.053 15.272 4.647 79 HG12 VAL 9 HG12 VAL 9 -3.678 14.586 4.655 80 HG13 VAL 9 HG13 VAL 9 -2.392 13.796 3.743 81 HG21 VAL 9 HG21 VAL 9 -2.834 13.425 7.938 82 HG22 VAL 9 HG22 VAL 9 -3.995 14.254 6.903 83 HG23 VAL 9 HG23 VAL 9 -2.490 15.055 7.355 84 H ASP 10 HN ASP 10 -3.962 11.805 3.439 85 HA ASP 10 HA ASP 10 -6.630 12.532 4.474 86 HB2 ASP 10 HB2 ASP 10 -5.759 13.309 2.228 87 HB3 ASP 10 HB1 ASP 10 -5.863 11.637 1.682 88 H ILE 11 HN ILE 11 -4.843 9.745 4.473 89 HA ILE 11 HA ILE 11 -7.000 7.890 3.698 90 HB ILE 11 HB ILE 11 -4.250 7.445 4.884 91 HG12 ILE 11 HG12 ILE 11 -5.312 6.856 2.100 92 HG13 ILE 11 HG11 ILE 11 -4.408 8.310 2.516 93 HG21 ILE 11 HG21 ILE 11 -5.582 5.594 5.583 94 HG22 ILE 11 HG22 ILE 11 -4.713 5.038 4.155 95 HG23 ILE 11 HG23 ILE 11 -6.408 5.506 4.028 96 HD11 ILE 11 HD11 ILE 11 -2.757 6.843 1.683 97 HD12 ILE 11 HD12 ILE 11 -3.455 5.448 2.504 98 HD13 ILE 11 HD13 ILE 11 -2.605 6.681 3.433 99 H VAL 12 HN VAL 12 -8.606 7.434 5.127 100 HA VAL 12 HA VAL 12 -7.911 7.033 7.991 101 HB VAL 12 HB VAL 12 -8.670 9.264 8.127 102 HG11 VAL 12 HG11 VAL 12 -10.728 10.027 6.878 103 HG12 VAL 12 HG12 VAL 12 -10.704 8.481 6.029 104 HG13 VAL 12 HG13 VAL 12 -9.358 9.607 5.848 105 HG21 VAL 12 HG21 VAL 12 -10.011 7.572 9.524 106 HG22 VAL 12 HG22 VAL 12 -11.302 7.794 8.342 107 HG23 VAL 12 HG23 VAL 12 -10.735 9.162 9.301 108 H GLU 13 HN GLU 13 -9.366 5.913 5.212 109 HA GLU 13 HA GLU 13 -11.057 3.998 6.772 110 HB2 GLU 13 HB2 GLU 13 -12.512 5.726 5.716 111 HB3 GLU 13 HB1 GLU 13 -11.845 5.294 4.141 112 HG2 GLU 13 HG2 GLU 13 -12.681 3.007 4.376 113 HG3 GLU 13 HG1 GLU 13 -13.279 3.369 5.996 114 H ASN 14 HN ASN 14 -10.914 1.890 6.059 115 HA ASN 14 HA ASN 14 -8.825 1.335 4.030 116 HB2 ASN 14 HB2 ASN 14 -8.881 -0.939 4.872 117 HB3 ASN 14 HB1 ASN 14 -8.807 0.174 6.238 118 HD21 ASN 14 HD21 ASN 14 -9.894 -2.518 6.413 119 HD22 ASN 14 HD22 ASN 14 -11.542 -2.377 6.790 120 H GLY 15 HN GLY 15 -9.240 -0.399 2.404 121 HA2 GLY 15 HA2 GLY 15 -10.552 -1.416 0.739 122 HA3 GLY 15 HA1 GLY 15 -11.966 -1.135 1.757 123 H GLN 16 HN GLN 16 -9.984 1.602 1.089 124 HA GLN 16 HA GLN 16 -12.174 2.752 -0.557 125 HB2 GLN 16 HB2 GLN 16 -11.282 4.025 1.391 126 HB3 GLN 16 HB1 GLN 16 -9.708 4.087 0.598 127 HG2 GLN 16 HG2 GLN 16 -10.590 5.365 -1.237 128 HG3 GLN 16 HG1 GLN 16 -12.247 5.118 -0.686 129 HE21 GLN 16 HE21 GLN 16 -10.524 5.546 2.123 130 HE22 GLN 16 HE22 GLN 16 -10.689 7.226 2.303 131 H TRP 17 HN TRP 17 -11.897 3.374 -2.668 132 HA TRP 17 HA TRP 17 -9.446 2.387 -4.041 133 HB2 TRP 17 HB2 TRP 17 -12.178 3.241 -5.036 134 HB3 TRP 17 HB1 TRP 17 -10.843 2.823 -6.112 135 HD1 TRP 17 HD1 TRP 17 -13.456 1.312 -3.864 136 HE1 TRP 17 HE1 TRP 17 -13.309 -1.260 -3.976 137 HE3 TRP 17 HE3 TRP 17 -9.088 0.792 -6.453 138 HZ2 TRP 17 HZ2 TRP 17 -11.567 -3.272 -5.028 139 HZ3 TRP 17 HZ3 TRP 17 -8.207 -1.459 -6.997 140 HH2 TRP 17 HH2 TRP 17 -9.440 -3.490 -6.289 141 H ALA 18 HN ALA 18 -7.940 3.797 -4.769 142 HA ALA 18 HA ALA 18 -8.654 6.482 -5.641 143 HB1 ALA 18 HB1 ALA 18 -7.031 6.139 -3.100 144 HB2 ALA 18 HB2 ALA 18 -8.595 6.938 -3.253 145 HB3 ALA 18 HB3 ALA 18 -7.165 7.649 -3.998 146 H ASN 19 HN ASN 19 -6.315 7.722 -5.808 147 HA ASN 19 HA ASN 19 -4.404 5.776 -7.097 148 HB2 ASN 19 HB2 ASN 19 -4.890 8.646 -7.945 149 HB3 ASN 19 HB1 ASN 19 -3.915 7.436 -8.779 150 HD21 ASN 19 HD21 ASN 19 -6.594 8.938 -9.437 151 HD22 ASN 19 HD22 ASN 19 -7.603 7.684 -9.979 152 H LEU 20 HN LEU 20 -2.217 6.037 -6.502 153 HA LEU 20 HA LEU 20 -1.645 8.227 -4.531 154 HB2 LEU 20 HB2 LEU 20 -0.890 5.324 -4.651 155 HB3 LEU 20 HB1 LEU 20 0.235 6.448 -3.900 156 HG LEU 20 HG LEU 20 -1.354 5.388 -2.280 157 HD11 LEU 20 HD11 LEU 20 -2.134 8.270 -2.240 158 HD12 LEU 20 HD12 LEU 20 -0.406 7.918 -2.232 159 HD13 LEU 20 HD13 LEU 20 -1.444 7.254 -0.979 160 HD21 LEU 20 HD21 LEU 20 -3.538 7.121 -3.395 161 HD22 LEU 20 HD22 LEU 20 -3.660 5.684 -2.388 162 HD23 LEU 20 HD23 LEU 20 -3.258 5.530 -4.096 163 H LYS 21 HN LYS 21 0.292 9.305 -4.727 164 HA LYS 21 HA LYS 21 2.056 8.654 -7.046 165 HB2 LYS 21 HB2 LYS 21 0.396 10.399 -7.718 166 HB3 LYS 21 HB1 LYS 21 0.993 11.426 -6.416 167 HG2 LYS 21 HG2 LYS 21 3.267 11.330 -7.403 168 HG3 LYS 21 HG1 LYS 21 2.633 10.364 -8.734 169 HD2 LYS 21 HD2 LYS 21 1.487 13.076 -8.052 170 HD3 LYS 21 HD1 LYS 21 2.868 12.901 -9.130 171 HE2 LYS 21 HE2 LYS 21 1.466 11.314 -10.519 172 HE3 LYS 21 HE1 LYS 21 0.084 11.772 -9.525 173 HZ1 LYS 21 HZ1 LYS 21 1.221 13.164 -11.688 174 HZ2 LYS 21 HZ2 LYS 21 1.357 14.118 -10.288 175 HZ3 LYS 21 HZ3 LYS 21 -0.164 13.551 -10.788 176 H ALA 22 HN ALA 22 4.080 8.620 -6.360 177 HA ALA 22 HA ALA 22 5.219 10.599 -4.617 178 HB1 ALA 22 HB1 ALA 22 5.700 8.884 -2.708 179 HB2 ALA 22 HB2 ALA 22 4.301 8.034 -3.366 180 HB3 ALA 22 HB3 ALA 22 4.127 9.682 -2.769 181 H LYS 23 HN LYS 23 7.298 9.537 -3.551 182 HA LYS 23 HA LYS 23 8.777 8.194 -5.801 183 HB2 LYS 23 HB2 LYS 23 9.420 10.573 -4.952 184 HB3 LYS 23 HB1 LYS 23 10.147 9.720 -3.592 185 HG2 LYS 23 HG2 LYS 23 11.371 8.280 -5.286 186 HG3 LYS 23 HG1 LYS 23 10.810 9.395 -6.528 187 HD2 LYS 23 HD2 LYS 23 12.396 10.241 -4.090 188 HD3 LYS 23 HD1 LYS 23 13.114 9.913 -5.667 189 HE2 LYS 23 HE2 LYS 23 11.470 11.632 -6.614 190 HE3 LYS 23 HE1 LYS 23 11.151 12.091 -4.941 191 HZ1 LYS 23 HZ1 LYS 23 13.026 13.245 -6.319 192 HZ2 LYS 23 HZ2 LYS 23 13.932 11.898 -5.820 193 HZ3 LYS 23 HZ3 LYS 23 13.229 12.926 -4.666 194 H VAL 24 HN VAL 24 10.305 6.536 -5.306 195 HA VAL 24 HA VAL 24 9.535 5.010 -2.877 196 HB VAL 24 HB VAL 24 11.316 4.292 -5.221 197 HG11 VAL 24 HG11 VAL 24 12.034 2.979 -3.356 198 HG12 VAL 24 HG12 VAL 24 10.936 1.947 -4.272 199 HG13 VAL 24 HG13 VAL 24 10.378 2.738 -2.798 200 HG21 VAL 24 HG21 VAL 24 9.302 2.723 -5.621 201 HG22 VAL 24 HG22 VAL 24 9.076 4.429 -5.997 202 HG23 VAL 24 HG23 VAL 24 8.424 3.762 -4.501 203 H ILE 25 HN ILE 25 10.604 5.527 -1.057 204 HA ILE 25 HA ILE 25 13.399 6.477 -1.169 205 HB ILE 25 HB ILE 25 13.098 6.684 1.320 206 HG12 ILE 25 HG12 ILE 25 10.217 6.003 0.686 207 HG13 ILE 25 HG11 ILE 25 11.345 4.870 1.428 208 HG21 ILE 25 HG21 ILE 25 11.510 8.587 1.131 209 HG22 ILE 25 HG22 ILE 25 11.039 8.013 -0.469 210 HG23 ILE 25 HG23 ILE 25 12.685 8.579 -0.185 211 HD11 ILE 25 HD11 ILE 25 11.630 6.266 3.347 212 HD12 ILE 25 HD12 ILE 25 9.893 6.172 3.057 213 HD13 ILE 25 HD13 ILE 25 10.791 7.610 2.576 214 H GLN 26 HN GLN 26 11.653 3.545 -0.434 215 HA GLN 26 HA GLN 26 14.200 2.104 -0.173 216 HB2 GLN 26 HB2 GLN 26 12.232 2.249 2.133 217 HB3 GLN 26 HB1 GLN 26 13.498 1.029 2.004 218 HG2 GLN 26 HG2 GLN 26 15.160 2.952 1.805 219 HG3 GLN 26 HG1 GLN 26 13.837 4.023 2.264 220 HE21 GLN 26 HE21 GLN 26 14.263 4.570 4.403 221 HE22 GLN 26 HE22 GLN 26 14.563 3.448 5.641 222 H LEU 27 HN LEU 27 13.943 -0.130 -0.606 223 HA LEU 27 HA LEU 27 11.168 -1.120 -1.093 224 HB2 LEU 27 HB2 LEU 27 12.065 -2.198 -3.211 225 HB3 LEU 27 HB1 LEU 27 11.843 -0.452 -3.291 226 HG LEU 27 HG LEU 27 14.526 -1.426 -2.358 227 HD11 LEU 27 HD11 LEU 27 13.640 -1.558 -5.256 228 HD12 LEU 27 HD12 LEU 27 14.118 -2.927 -4.251 229 HD13 LEU 27 HD13 LEU 27 15.305 -1.701 -4.695 230 HD21 LEU 27 HD21 LEU 27 13.870 0.682 -4.419 231 HD22 LEU 27 HD22 LEU 27 15.301 0.551 -3.397 232 HD23 LEU 27 HD23 LEU 27 13.756 1.021 -2.693 233 H TRP 28 HN TRP 28 11.099 -3.505 -1.241 234 HA TRP 28 HA TRP 28 13.505 -4.895 -0.170 235 HB2 TRP 28 HB2 TRP 28 11.950 -4.202 1.721 236 HB3 TRP 28 HB1 TRP 28 10.753 -5.293 1.020 237 HD1 TRP 28 HD1 TRP 28 14.328 -5.346 2.446 238 HE1 TRP 28 HE1 TRP 28 14.799 -7.707 3.366 239 HE3 TRP 28 HE3 TRP 28 10.039 -7.712 1.018 240 HZ2 TRP 28 HZ2 TRP 28 13.519 -10.264 3.482 241 HZ3 TRP 28 HZ3 TRP 28 9.689 -10.105 1.545 242 HH2 TRP 28 HH2 TRP 28 11.421 -11.385 2.774 243 H GLU 29 HN GLU 29 13.847 -6.315 -1.773 244 HA GLU 29 HA GLU 29 11.786 -7.366 -3.491 245 HB2 GLU 29 HB2 GLU 29 13.576 -8.957 -4.246 246 HB3 GLU 29 HB1 GLU 29 14.079 -7.268 -4.280 247 HG2 GLU 29 HG2 GLU 29 15.088 -7.616 -1.984 248 HG3 GLU 29 HG1 GLU 29 14.756 -9.337 -2.174 249 H ASN 30 HN ASN 30 10.423 -9.058 -3.163 250 HA ASN 30 HA ASN 30 10.846 -10.777 -0.742 251 HB2 ASN 30 HB2 ASN 30 8.708 -9.533 -0.843 252 HB3 ASN 30 HB1 ASN 30 8.348 -10.293 -2.396 253 HD21 ASN 30 HD21 ASN 30 7.421 -12.378 -2.353 254 HD22 ASN 30 HD22 ASN 30 7.198 -13.289 -0.938 255 H THR 31 HN THR 31 10.524 -13.087 -0.978 256 HA THR 31 HA THR 31 10.404 -14.147 -3.755 257 HB THR 31 HB THR 31 12.382 -15.633 -3.230 258 HG1 THR 31 HG1 THR 31 12.081 -14.444 -0.878 259 HG21 THR 31 HG21 THR 31 12.523 -13.565 -4.639 260 HG22 THR 31 HG22 THR 31 14.027 -13.940 -3.800 261 HG23 THR 31 HG23 THR 31 12.975 -12.661 -3.194 262 H HIS 32 HN HIS 32 8.291 -14.422 -2.259 263 HA HIS 32 HA HIS 32 8.438 -17.190 -1.090 264 HB2 HIS 32 HB2 HIS 32 8.067 -15.342 0.605 265 HB3 HIS 32 HB1 HIS 32 6.554 -14.977 -0.225 266 HD1 HIS 32 HD1 HIS 32 8.226 -18.154 1.105 267 HD2 HIS 32 HD2 HIS 32 4.479 -16.334 0.973 268 HE1 HIS 32 HE1 HIS 32 6.637 -19.696 2.332 269 H GLU 33 HN GLU 33 7.697 -15.871 -3.790 270 HA GLU 33 HA GLU 33 6.132 -16.222 -5.495 271 HB2 GLU 33 HB2 GLU 33 5.550 -18.636 -3.754 272 HB3 GLU 33 HB1 GLU 33 4.915 -18.410 -5.383 273 HG2 GLU 33 HG2 GLU 33 7.869 -18.380 -4.710 274 HG3 GLU 33 HG1 GLU 33 7.010 -19.805 -5.293 275 H SER 34 HN SER 34 5.230 -15.242 -2.511 276 HA SER 34 HA SER 34 2.294 -15.178 -3.168 277 HB2 SER 34 HB2 SER 34 2.884 -16.210 -0.983 278 HB3 SER 34 HB1 SER 34 3.693 -14.715 -0.518 279 HG SER 34 HG SER 34 1.728 -13.653 -0.642 280 H ILE 35 HN ILE 35 4.936 -13.204 -1.806 281 HA ILE 35 HA ILE 35 3.456 -10.732 -2.636 282 HB ILE 35 HB ILE 35 5.712 -11.083 -0.639 283 HG12 ILE 35 HG12 ILE 35 2.812 -10.325 -0.180 284 HG13 ILE 35 HG11 ILE 35 3.416 -11.975 -0.013 285 HG21 ILE 35 HG21 ILE 35 5.909 -8.899 -1.572 286 HG22 ILE 35 HG22 ILE 35 4.991 -8.677 -0.084 287 HG23 ILE 35 HG23 ILE 35 4.160 -8.684 -1.639 288 HD11 ILE 35 HD11 ILE 35 3.356 -10.733 2.158 289 HD12 ILE 35 HD12 ILE 35 4.525 -9.590 1.494 290 HD13 ILE 35 HD13 ILE 35 4.974 -11.280 1.721 291 H SER 36 HN SER 36 4.437 -9.293 -4.031 292 HA SER 36 HA SER 36 6.735 -10.317 -5.558 293 HB2 SER 36 HB2 SER 36 5.716 -7.599 -6.194 294 HB3 SER 36 HB1 SER 36 5.912 -9.000 -7.246 295 HG SER 36 HG SER 36 3.766 -8.230 -5.628 296 H GLN 37 HN GLN 37 5.986 -7.198 -3.946 297 HA GLN 37 HA GLN 37 8.759 -7.077 -2.932 298 HB2 GLN 37 HB2 GLN 37 8.823 -6.091 -5.228 299 HB3 GLN 37 HB1 GLN 37 7.615 -4.911 -4.718 300 HG2 GLN 37 HG2 GLN 37 9.106 -4.000 -3.054 301 HG3 GLN 37 HG1 GLN 37 10.285 -5.280 -3.342 302 HE21 GLN 37 HE21 GLN 37 9.258 -2.148 -4.372 303 HE22 GLN 37 HE22 GLN 37 10.282 -2.016 -5.719 304 H VAL 38 HN VAL 38 8.989 -5.546 -1.248 305 HA VAL 38 HA VAL 38 6.469 -4.219 -0.278 306 HB VAL 38 HB VAL 38 8.482 -5.815 1.333 307 HG11 VAL 38 HG11 VAL 38 6.926 -5.168 3.257 308 HG12 VAL 38 HG12 VAL 38 6.276 -3.925 2.187 309 HG13 VAL 38 HG13 VAL 38 7.977 -3.887 2.655 310 HG21 VAL 38 HG21 VAL 38 6.580 -6.974 0.078 311 HG22 VAL 38 HG22 VAL 38 5.479 -6.112 1.154 312 HG23 VAL 38 HG23 VAL 38 6.642 -7.259 1.817 313 H GLY 39 HN GLY 39 6.804 -2.077 0.263 314 HA2 GLY 39 HA2 GLY 39 9.457 -1.170 1.120 315 HA3 GLY 39 HA1 GLY 39 9.007 -0.627 -0.493 316 H LEU 40 HN LEU 40 9.074 1.531 0.329 317 HA LEU 40 HA LEU 40 6.527 2.309 1.671 318 HB2 LEU 40 HB2 LEU 40 9.253 3.454 2.363 319 HB3 LEU 40 HB1 LEU 40 7.706 3.960 3.039 320 HG LEU 40 HG LEU 40 7.555 1.304 3.603 321 HD11 LEU 40 HD11 LEU 40 10.505 1.920 3.919 322 HD12 LEU 40 HD12 LEU 40 9.862 0.972 2.579 323 HD13 LEU 40 HD13 LEU 40 9.682 0.394 4.236 324 HD21 LEU 40 HD21 LEU 40 9.047 3.383 5.240 325 HD22 LEU 40 HD22 LEU 40 8.411 1.863 5.870 326 HD23 LEU 40 HD23 LEU 40 7.307 3.092 5.256 327 H LEU 41 HN LEU 41 5.805 4.421 1.142 328 HA LEU 41 HA LEU 41 6.994 5.480 -1.405 329 HB2 LEU 41 HB2 LEU 41 4.205 5.905 -0.300 330 HB3 LEU 41 HB1 LEU 41 4.790 6.327 -1.902 331 HG LEU 41 HG LEU 41 4.578 3.522 -0.791 332 HD11 LEU 41 HD11 LEU 41 3.014 4.748 -3.070 333 HD12 LEU 41 HD12 LEU 41 2.426 4.759 -1.407 334 HD13 LEU 41 HD13 LEU 41 2.705 3.226 -2.235 335 HD21 LEU 41 HD21 LEU 41 5.669 4.660 -3.365 336 HD22 LEU 41 HD22 LEU 41 4.991 3.033 -3.331 337 HD23 LEU 41 HD23 LEU 41 6.370 3.433 -2.311 338 H GLY 42 HN GLY 42 7.899 7.439 -1.305 339 HA2 GLY 42 HA2 GLY 42 7.750 8.992 1.204 340 HA3 GLY 42 HA1 GLY 42 8.884 9.262 -0.116 341 H ASP 43 HN ASP 43 5.769 10.064 1.176 342 HA ASP 43 HA ASP 43 5.114 11.719 -1.223 343 HB2 ASP 43 HB2 ASP 43 3.356 10.217 -0.292 344 HB3 ASP 43 HB1 ASP 43 3.431 11.120 1.222 345 H GLU 44 HN GLU 44 4.426 13.952 -0.827 346 HA GLU 44 HA GLU 44 6.264 15.378 0.871 347 HB2 GLU 44 HB2 GLU 44 3.784 16.262 -0.631 348 HB3 GLU 44 HB1 GLU 44 4.887 17.371 0.188 349 HG2 GLU 44 HG2 GLU 44 6.743 16.611 -1.207 350 HG3 GLU 44 HG1 GLU 44 5.701 15.415 -1.982 351 H THR 45 HN THR 45 3.233 13.908 1.475 352 HA THR 45 HA THR 45 2.661 15.681 3.804 353 HB THR 45 HB THR 45 0.533 14.449 3.927 354 HG1 THR 45 HG1 THR 45 1.338 12.453 3.176 355 HG21 THR 45 HG21 THR 45 1.023 16.376 2.231 356 HG22 THR 45 HG22 THR 45 -0.448 15.426 2.030 357 HG23 THR 45 HG23 THR 45 0.957 15.096 1.017 358 H GLY 46 HN GLY 46 4.364 12.861 3.105 359 HA2 GLY 46 HA2 GLY 46 5.378 12.245 5.525 360 HA3 GLY 46 HA1 GLY 46 3.771 11.539 5.684 361 H ILE 47 HN ILE 47 4.504 9.408 5.761 362 HA ILE 47 HA ILE 47 5.452 8.297 3.155 363 HB ILE 47 HB ILE 47 6.809 6.633 4.603 364 HG12 ILE 47 HG12 ILE 47 7.663 7.675 6.732 365 HG13 ILE 47 HG11 ILE 47 6.419 8.908 6.592 366 HG21 ILE 47 HG21 ILE 47 8.678 8.456 4.867 367 HG22 ILE 47 HG22 ILE 47 7.517 9.506 4.053 368 HG23 ILE 47 HG23 ILE 47 8.090 8.040 3.261 369 HD11 ILE 47 HD11 ILE 47 5.549 6.039 6.474 370 HD12 ILE 47 HD12 ILE 47 4.719 7.442 7.151 371 HD13 ILE 47 HD13 ILE 47 6.044 6.695 8.035 372 H ILE 48 HN ILE 48 5.065 5.893 3.043 373 HA ILE 48 HA ILE 48 3.122 4.788 4.943 374 HB ILE 48 HB ILE 48 1.617 6.102 3.568 375 HG12 ILE 48 HG12 ILE 48 1.430 3.236 2.625 376 HG13 ILE 48 HG11 ILE 48 1.042 3.720 4.276 377 HG21 ILE 48 HG21 ILE 48 1.458 5.584 1.107 378 HG22 ILE 48 HG22 ILE 48 2.962 4.680 1.257 379 HG23 ILE 48 HG23 ILE 48 2.940 6.414 1.580 380 HD11 ILE 48 HD11 ILE 48 -0.959 3.643 2.760 381 HD12 ILE 48 HD12 ILE 48 -0.230 4.941 1.814 382 HD13 ILE 48 HD13 ILE 48 -0.687 5.224 3.493 383 H LYS 49 HN LYS 49 3.017 2.533 4.810 384 HA LYS 49 HA LYS 49 5.075 1.276 3.089 385 HB2 LYS 49 HB2 LYS 49 5.011 0.740 5.505 386 HB3 LYS 49 HB1 LYS 49 3.381 0.101 5.303 387 HG2 LYS 49 HG2 LYS 49 4.216 -1.588 3.727 388 HG3 LYS 49 HG1 LYS 49 5.846 -0.930 3.872 389 HD2 LYS 49 HD2 LYS 49 5.835 -1.454 6.288 390 HD3 LYS 49 HD1 LYS 49 4.212 -2.128 6.129 391 HE2 LYS 49 HE2 LYS 49 5.044 -3.807 4.542 392 HE3 LYS 49 HE1 LYS 49 6.668 -3.126 4.659 393 HZ1 LYS 49 HZ1 LYS 49 6.692 -4.875 6.156 394 HZ2 LYS 49 HZ2 LYS 49 5.117 -4.568 6.712 395 HZ3 LYS 49 HZ3 LYS 49 6.391 -3.535 7.151 396 H PHE 50 HN PHE 50 4.528 0.101 1.246 397 HA PHE 50 HA PHE 50 1.676 -0.785 0.971 398 HB2 PHE 50 HB2 PHE 50 1.711 -0.137 -1.337 399 HB3 PHE 50 HB1 PHE 50 2.294 1.255 -0.432 400 HD1 PHE 50 HD2 PHE 50 4.934 1.333 -0.069 401 HD2 PHE 50 HD1 PHE 50 2.953 -0.888 -3.172 402 HE1 PHE 50 HE2 PHE 50 7.030 1.313 -1.400 403 HE2 PHE 50 HE1 PHE 50 5.047 -0.907 -4.494 404 HZ PHE 50 HZ PHE 50 7.085 0.189 -3.612 405 H THR 51 HN THR 51 1.430 -2.706 -0.321 406 HA THR 51 HA THR 51 3.941 -4.291 -0.746 407 HB THR 51 HB THR 51 1.343 -5.253 0.489 408 HG1 THR 51 HG1 THR 51 2.302 -4.726 2.256 409 HG21 THR 51 HG21 THR 51 2.843 -7.334 0.861 410 HG22 THR 51 HG22 THR 51 3.840 -6.666 -0.431 411 HG23 THR 51 HG23 THR 51 2.156 -7.083 -0.743 412 H ILE 52 HN ILE 52 4.020 -5.179 -2.736 413 HA ILE 52 HA ILE 52 1.594 -5.020 -4.471 414 HB ILE 52 HB ILE 52 4.510 -5.475 -5.168 415 HG12 ILE 52 HG12 ILE 52 2.757 -3.050 -5.661 416 HG13 ILE 52 HG11 ILE 52 3.845 -3.189 -4.282 417 HG21 ILE 52 HG21 ILE 52 3.613 -4.936 -7.501 418 HG22 ILE 52 HG22 ILE 52 2.001 -5.207 -6.836 419 HG23 ILE 52 HG23 ILE 52 3.180 -6.518 -6.854 420 HD11 ILE 52 HD11 ILE 52 4.658 -2.020 -6.512 421 HD12 ILE 52 HD12 ILE 52 4.943 -3.677 -7.039 422 HD13 ILE 52 HD13 ILE 52 5.755 -3.054 -5.601 423 H TRP 53 HN TRP 53 0.530 -6.867 -5.054 424 HA TRP 53 HA TRP 53 1.508 -9.431 -4.031 425 HB2 TRP 53 HB2 TRP 53 -0.957 -8.610 -5.580 426 HB3 TRP 53 HB1 TRP 53 -0.635 -10.274 -5.089 427 HD1 TRP 53 HD1 TRP 53 -1.990 -7.041 -3.828 428 HE1 TRP 53 HE1 TRP 53 -2.538 -7.232 -1.316 429 HE3 TRP 53 HE3 TRP 53 0.287 -11.483 -2.771 430 HZ2 TRP 53 HZ2 TRP 53 -2.069 -9.038 0.858 431 HZ3 TRP 53 HZ3 TRP 53 0.224 -12.417 -0.477 432 HH2 TRP 53 HH2 TRP 53 -0.950 -11.201 1.338 433 H LYS 54 HN LYS 54 2.327 -11.111 -5.229 434 HA LYS 54 HA LYS 54 3.657 -10.606 -7.689 435 HB2 LYS 54 HB2 LYS 54 4.171 -12.465 -6.063 436 HB3 LYS 54 HB1 LYS 54 2.732 -13.297 -6.649 437 HG2 LYS 54 HG2 LYS 54 3.650 -13.377 -8.911 438 HG3 LYS 54 HG1 LYS 54 5.060 -12.450 -8.395 439 HD2 LYS 54 HD2 LYS 54 5.658 -14.250 -6.806 440 HD3 LYS 54 HD1 LYS 54 4.269 -15.188 -7.355 441 HE2 LYS 54 HE2 LYS 54 6.469 -14.235 -9.207 442 HE3 LYS 54 HE1 LYS 54 6.465 -15.824 -8.442 443 HZ1 LYS 54 HZ1 LYS 54 4.542 -16.446 -9.578 444 HZ2 LYS 54 HZ2 LYS 54 5.473 -15.647 -10.752 445 HZ3 LYS 54 HZ3 LYS 54 4.162 -14.853 -10.021 446 H ASN 55 HN ASN 55 0.482 -12.007 -7.001 447 HA ASN 55 HA ASN 55 -0.131 -12.871 -9.645 448 HB2 ASN 55 HB2 ASN 55 -1.948 -11.855 -7.439 449 HB3 ASN 55 HB1 ASN 55 -2.510 -12.675 -8.897 450 HD21 ASN 55 HD21 ASN 55 -0.167 -14.537 -8.965 451 HD22 ASN 55 HD22 ASN 55 -0.421 -15.645 -7.705 452 H ALA 56 HN ALA 56 0.589 -9.793 -8.638 453 HA ALA 56 HA ALA 56 -1.366 -8.377 -10.328 454 HB1 ALA 56 HB1 ALA 56 1.134 -7.221 -9.075 455 HB2 ALA 56 HB2 ALA 56 -0.355 -7.458 -8.161 456 HB3 ALA 56 HB3 ALA 56 -0.338 -6.369 -9.548 457 H GLU 57 HN GLU 57 1.825 -9.716 -10.570 458 HA GLU 57 HA GLU 57 3.369 -9.776 -12.329 459 HB2 GLU 57 HB2 GLU 57 0.835 -9.267 -13.921 460 HB3 GLU 57 HB1 GLU 57 2.367 -9.800 -14.606 461 HG2 GLU 57 HG2 GLU 57 0.885 -11.306 -12.437 462 HG3 GLU 57 HG1 GLU 57 0.735 -11.669 -14.156 463 H LEU 58 HN LEU 58 3.418 -7.363 -11.043 464 HA LEU 58 HA LEU 58 3.497 -5.313 -13.226 465 HB2 LEU 58 HB2 LEU 58 3.533 -4.866 -10.233 466 HB3 LEU 58 HB1 LEU 58 3.340 -3.640 -11.485 467 HG LEU 58 HG LEU 58 1.422 -5.936 -11.003 468 HD11 LEU 58 HD11 LEU 58 -0.089 -4.110 -10.172 469 HD12 LEU 58 HD12 LEU 58 1.277 -2.996 -10.265 470 HD13 LEU 58 HD13 LEU 58 1.326 -4.361 -9.150 471 HD21 LEU 58 HD21 LEU 58 -0.036 -4.349 -12.472 472 HD22 LEU 58 HD22 LEU 58 1.188 -5.329 -13.271 473 HD23 LEU 58 HD23 LEU 58 1.501 -3.624 -12.946 474 HA PRO 59 HA PRO 59 7.938 -5.420 -12.969 475 HB2 PRO 59 HB2 PRO 59 8.562 -2.868 -13.810 476 HB3 PRO 59 HB1 PRO 59 8.026 -4.162 -14.901 477 HG2 PRO 59 HG2 PRO 59 6.453 -1.911 -13.727 478 HG3 PRO 59 HG1 PRO 59 6.401 -2.593 -15.363 479 HD2 PRO 59 HD2 PRO 59 4.532 -3.203 -13.466 480 HD3 PRO 59 HD1 PRO 59 5.013 -4.348 -14.737 481 H LEU 60 HN LEU 60 9.754 -4.580 -11.746 482 HA LEU 60 HA LEU 60 9.013 -3.647 -9.103 483 HB2 LEU 60 HB2 LEU 60 11.770 -3.904 -10.338 484 HB3 LEU 60 HB1 LEU 60 11.403 -3.799 -8.615 485 HG LEU 60 HG LEU 60 10.491 -6.009 -10.483 486 HD11 LEU 60 HD11 LEU 60 12.029 -7.372 -8.957 487 HD12 LEU 60 HD12 LEU 60 12.677 -5.828 -8.403 488 HD13 LEU 60 HD13 LEU 60 12.823 -6.289 -10.100 489 HD21 LEU 60 HD21 LEU 60 9.947 -5.382 -7.582 490 HD22 LEU 60 HD22 LEU 60 9.980 -7.060 -8.121 491 HD23 LEU 60 HD23 LEU 60 8.829 -5.933 -8.829 492 H LEU 61 HN LEU 61 9.497 -1.668 -8.143 493 HA LEU 61 HA LEU 61 9.602 0.618 -9.992 494 HB2 LEU 61 HB2 LEU 61 9.222 0.332 -7.007 495 HB3 LEU 61 HB1 LEU 61 9.418 1.905 -7.780 496 HG LEU 61 HG LEU 61 7.493 1.431 -9.248 497 HD11 LEU 61 HD11 LEU 61 7.574 -1.203 -7.776 498 HD12 LEU 61 HD12 LEU 61 7.439 -0.905 -9.509 499 HD13 LEU 61 HD13 LEU 61 6.063 -0.603 -8.457 500 HD21 LEU 61 HD21 LEU 61 6.715 0.881 -6.374 501 HD22 LEU 61 HD22 LEU 61 5.804 1.773 -7.592 502 HD23 LEU 61 HD23 LEU 61 7.276 2.464 -6.912 503 H GLU 62 HN GLU 62 11.212 2.321 -9.787 504 HA GLU 62 HA GLU 62 13.877 1.261 -8.946 505 HB2 GLU 62 HB2 GLU 62 13.521 2.130 -11.290 506 HB3 GLU 62 HB1 GLU 62 13.246 3.723 -10.589 507 HG2 GLU 62 HG2 GLU 62 15.565 3.623 -11.231 508 HG3 GLU 62 HG1 GLU 62 15.512 3.516 -9.471 509 H GLN 63 HN GLN 63 15.007 2.217 -7.314 510 HA GLN 63 HA GLN 63 13.641 3.988 -5.487 511 HB2 GLN 63 HB2 GLN 63 15.465 2.256 -4.949 512 HB3 GLN 63 HB1 GLN 63 16.618 3.465 -5.500 513 HG2 GLN 63 HG2 GLN 63 15.730 5.075 -3.860 514 HG3 GLN 63 HG1 GLN 63 14.568 3.867 -3.305 515 HE21 GLN 63 HE21 GLN 63 15.368 3.402 -1.223 516 HE22 GLN 63 HE22 GLN 63 16.938 2.834 -0.919 517 H GLY 64 HN GLY 64 13.842 6.208 -5.218 518 HA2 GLY 64 HA2 GLY 64 14.863 8.351 -5.475 519 HA3 GLY 64 HA1 GLY 64 15.961 7.667 -6.676 520 H GLU 65 HN GLU 65 13.323 6.372 -7.800 521 HA GLU 65 HA GLU 65 12.725 8.687 -9.577 522 HB2 GLU 65 HB2 GLU 65 12.243 5.717 -9.880 523 HB3 GLU 65 HB1 GLU 65 11.661 6.923 -11.028 524 HG2 GLU 65 HG2 GLU 65 13.997 7.718 -11.338 525 HG3 GLU 65 HG1 GLU 65 14.554 6.451 -10.246 526 H SER 66 HN SER 66 10.555 9.074 -10.216 527 HA SER 66 HA SER 66 8.644 8.894 -7.969 528 HB2 SER 66 HB2 SER 66 8.686 10.437 -10.556 529 HB3 SER 66 HB1 SER 66 7.231 10.347 -9.567 530 HG SER 66 HG SER 66 8.728 11.013 -7.799 531 H TYR 67 HN TYR 67 6.526 8.000 -8.206 532 HA TYR 67 HA TYR 67 6.012 6.374 -10.643 533 HB2 TYR 67 HB2 TYR 67 6.339 5.318 -7.833 534 HB3 TYR 67 HB1 TYR 67 5.250 4.505 -8.955 535 HD1 TYR 67 HD2 TYR 67 6.103 3.491 -11.036 536 HD2 TYR 67 HD1 TYR 67 8.739 5.267 -8.151 537 HE1 TYR 67 HE2 TYR 67 8.034 2.358 -12.104 538 HE2 TYR 67 HE1 TYR 67 10.669 4.132 -9.214 539 HH TYR 67 HH TYR 67 11.223 3.208 -11.495 540 H LEU 68 HN LEU 68 3.880 6.104 -11.077 541 HA LEU 68 HA LEU 68 1.914 7.508 -9.284 542 HB2 LEU 68 HB2 LEU 68 2.052 8.684 -11.375 543 HB3 LEU 68 HB1 LEU 68 1.998 7.187 -12.294 544 HG LEU 68 HG LEU 68 -0.321 6.804 -11.572 545 HD11 LEU 68 HD11 LEU 68 -1.436 8.791 -10.363 546 HD12 LEU 68 HD12 LEU 68 0.201 9.300 -9.948 547 HD13 LEU 68 HD13 LEU 68 -0.407 7.742 -9.387 548 HD21 LEU 68 HD21 LEU 68 0.208 8.258 -13.568 549 HD22 LEU 68 HD22 LEU 68 0.001 9.661 -12.519 550 HD23 LEU 68 HD23 LEU 68 -1.360 8.583 -12.827 551 H LEU 69 HN LEU 69 0.326 6.243 -8.464 552 HA LEU 69 HA LEU 69 -0.051 3.500 -9.634 553 HB2 LEU 69 HB2 LEU 69 -0.412 4.415 -6.761 554 HB3 LEU 69 HB1 LEU 69 -0.683 2.788 -7.376 555 HG LEU 69 HG LEU 69 1.862 3.139 -8.259 556 HD11 LEU 69 HD11 LEU 69 1.913 5.445 -7.188 557 HD12 LEU 69 HD12 LEU 69 3.203 4.355 -6.685 558 HD13 LEU 69 HD13 LEU 69 1.824 4.635 -5.624 559 HD21 LEU 69 HD21 LEU 69 1.240 1.242 -6.928 560 HD22 LEU 69 HD22 LEU 69 0.943 2.252 -5.512 561 HD23 LEU 69 HD23 LEU 69 2.590 2.021 -6.101 562 H ARG 70 HN ARG 70 -1.987 3.230 -10.542 563 HA ARG 70 HA ARG 70 -4.281 4.951 -9.633 564 HB2 ARG 70 HB2 ARG 70 -3.696 3.758 -12.351 565 HB3 ARG 70 HB1 ARG 70 -5.182 4.611 -11.931 566 HG2 ARG 70 HG2 ARG 70 -3.866 6.619 -11.358 567 HG3 ARG 70 HG1 ARG 70 -2.386 5.763 -11.790 568 HD2 ARG 70 HD2 ARG 70 -4.691 6.207 -13.700 569 HD3 ARG 70 HD1 ARG 70 -3.261 7.236 -13.625 570 HE ARG 70 HE ARG 70 -2.370 4.561 -13.919 571 HH11 ARG 70 HH21 ARG 70 -4.160 6.990 -15.582 572 HH12 ARG 70 HH22 ARG 70 -3.717 6.424 -17.158 573 HH21 ARG 70 HH11 ARG 70 -1.783 3.807 -15.962 574 HH22 ARG 70 HH12 ARG 70 -2.370 4.621 -17.373 575 H SER 71 HN SER 71 -6.338 3.989 -9.504 576 HA SER 71 HA SER 71 -7.841 2.305 -8.926 577 HB2 SER 71 HB2 SER 71 -6.207 1.040 -11.114 578 HB3 SER 71 HB1 SER 71 -7.446 0.105 -10.285 579 HG SER 71 HG SER 71 -8.123 1.314 -12.204 580 H VAL 72 HN VAL 72 -6.102 2.571 -6.923 581 HA VAL 72 HA VAL 72 -5.202 -0.221 -6.244 582 HB VAL 72 HB VAL 72 -3.809 1.036 -4.471 583 HG11 VAL 72 HG11 VAL 72 -3.143 1.492 -7.396 584 HG12 VAL 72 HG12 VAL 72 -2.891 -0.028 -6.537 585 HG13 VAL 72 HG13 VAL 72 -1.998 1.413 -6.057 586 HG21 VAL 72 HG21 VAL 72 -3.300 3.359 -4.959 587 HG22 VAL 72 HG22 VAL 72 -5.047 3.196 -4.785 588 HG23 VAL 72 HG23 VAL 72 -4.328 3.324 -6.390 589 H VAL 73 HN VAL 73 -5.424 -0.736 -3.913 590 HA VAL 73 HA VAL 73 -7.866 0.547 -2.708 591 HB VAL 73 HB VAL 73 -8.328 -1.703 -3.662 592 HG11 VAL 73 HG11 VAL 73 -5.959 -2.537 -3.247 593 HG12 VAL 73 HG12 VAL 73 -7.246 -3.666 -2.824 594 HG13 VAL 73 HG13 VAL 73 -6.423 -2.753 -1.559 595 HG21 VAL 73 HG21 VAL 73 -8.314 -1.687 -0.630 596 HG22 VAL 73 HG22 VAL 73 -9.400 -2.604 -1.673 597 HG23 VAL 73 HG23 VAL 73 -9.503 -0.844 -1.623 598 H VAL 74 HN VAL 74 -7.862 0.776 -0.479 599 HA VAL 74 HA VAL 74 -5.173 0.766 0.778 600 HB VAL 74 HB VAL 74 -7.849 1.844 1.716 601 HG11 VAL 74 HG11 VAL 74 -6.388 3.057 3.393 602 HG12 VAL 74 HG12 VAL 74 -5.072 1.983 2.917 603 HG13 VAL 74 HG13 VAL 74 -6.526 1.318 3.658 604 HG21 VAL 74 HG21 VAL 74 -7.015 3.990 1.077 605 HG22 VAL 74 HG22 VAL 74 -6.661 2.925 -0.284 606 HG23 VAL 74 HG23 VAL 74 -5.381 3.365 0.847 607 H GLY 75 HN GLY 75 -4.561 -0.737 2.303 608 HA2 GLY 75 HA2 GLY 75 -6.604 -2.754 3.153 609 HA3 GLY 75 HA1 GLY 75 -4.864 -3.027 3.094 610 H GLU 76 HN GLU 76 -6.748 -3.313 5.385 611 HA GLU 76 HA GLU 76 -5.891 -1.151 7.226 612 HB2 GLU 76 HB2 GLU 76 -8.252 -2.280 7.110 613 HB3 GLU 76 HB1 GLU 76 -7.496 -3.588 8.016 614 HG2 GLU 76 HG2 GLU 76 -7.527 -0.671 8.855 615 HG3 GLU 76 HG1 GLU 76 -8.569 -1.933 9.516 616 H TYR 77 HN TYR 77 -3.722 -1.503 7.692 617 HA TYR 77 HA TYR 77 -2.822 -4.243 8.428 618 HB2 TYR 77 HB2 TYR 77 -1.472 -2.755 6.893 619 HB3 TYR 77 HB1 TYR 77 -1.201 -1.685 8.267 620 HD1 TYR 77 HD2 TYR 77 -0.488 -5.003 6.825 621 HD2 TYR 77 HD1 TYR 77 0.218 -2.350 10.128 622 HE1 TYR 77 HE2 TYR 77 1.390 -6.438 7.575 623 HE2 TYR 77 HE1 TYR 77 2.096 -3.784 10.878 624 HH TYR 77 HH TYR 77 2.556 -6.871 9.897 625 H ASN 78 HN ASN 78 -3.464 -4.681 10.509 626 HA ASN 78 HA ASN 78 -3.868 -4.350 12.810 627 HB2 ASN 78 HB2 ASN 78 -1.032 -3.390 12.374 628 HB3 ASN 78 HB1 ASN 78 -1.735 -3.609 13.978 629 HD21 ASN 78 HD21 ASN 78 0.469 -5.209 13.092 630 HD22 ASN 78 HD22 ASN 78 -0.066 -6.811 12.923 631 H ASP 79 HN ASP 79 -1.775 -1.762 13.396 632 HA ASP 79 HA ASP 79 -4.099 0.040 13.849 633 HB2 ASP 79 HB2 ASP 79 -2.440 -0.387 15.672 634 HB3 ASP 79 HB1 ASP 79 -1.206 0.384 14.676 635 H ARG 80 HN ARG 80 -1.422 -0.356 11.698 636 HA ARG 80 HA ARG 80 -1.618 2.471 10.755 637 HB2 ARG 80 HB2 ARG 80 0.360 0.275 10.055 638 HB3 ARG 80 HB1 ARG 80 0.442 1.941 9.488 639 HG2 ARG 80 HG2 ARG 80 0.372 1.299 12.436 640 HG3 ARG 80 HG1 ARG 80 1.885 1.279 11.536 641 HD2 ARG 80 HD2 ARG 80 1.434 3.627 10.808 642 HD3 ARG 80 HD1 ARG 80 0.002 3.637 11.834 643 HE ARG 80 HE ARG 80 2.371 2.867 13.313 644 HH11 ARG 80 HH21 ARG 80 0.554 5.460 11.975 645 HH12 ARG 80 HH22 ARG 80 1.108 6.626 13.128 646 HH21 ARG 80 HH11 ARG 80 3.113 4.366 14.835 647 HH22 ARG 80 HH12 ARG 80 2.561 6.006 14.753 648 H PHE 81 HN PHE 81 -1.677 2.812 8.407 649 HA PHE 81 HA PHE 81 -3.488 0.843 7.068 650 HB2 PHE 81 HB2 PHE 81 -2.925 3.779 6.547 651 HB3 PHE 81 HB1 PHE 81 -3.992 2.782 5.556 652 HD1 PHE 81 HD1 PHE 81 -6.072 1.838 6.507 653 HD2 PHE 81 HD2 PHE 81 -3.584 4.525 8.750 654 HE1 PHE 81 HE1 PHE 81 -7.921 2.204 8.118 655 HE2 PHE 81 HE2 PHE 81 -5.434 4.893 10.361 656 HZ PHE 81 HZ PHE 81 -7.603 3.731 10.045 657 H GLN 82 HN GLN 82 -3.005 0.231 4.869 658 HA GLN 82 HA GLN 82 -0.297 0.945 3.841 659 HB2 GLN 82 HB2 GLN 82 -1.330 -1.871 4.299 660 HB3 GLN 82 HB1 GLN 82 0.106 -1.482 3.347 661 HG2 GLN 82 HG2 GLN 82 1.097 -0.365 5.320 662 HG3 GLN 82 HG1 GLN 82 -0.324 -0.797 6.267 663 HE21 GLN 82 HE21 GLN 82 -0.293 -3.432 4.508 664 HE22 GLN 82 HE22 GLN 82 0.831 -4.399 5.335 665 H VAL 83 HN VAL 83 -0.083 0.455 1.533 666 HA VAL 83 HA VAL 83 -2.762 0.396 0.161 667 HB VAL 83 HB VAL 83 -0.162 1.208 -1.140 668 HG11 VAL 83 HG11 VAL 83 -2.345 0.812 -2.424 669 HG12 VAL 83 HG12 VAL 83 -1.573 2.380 -2.658 670 HG13 VAL 83 HG13 VAL 83 -2.969 2.237 -1.591 671 HG21 VAL 83 HG21 VAL 83 -0.863 3.576 -0.523 672 HG22 VAL 83 HG22 VAL 83 -0.213 2.605 0.797 673 HG23 VAL 83 HG23 VAL 83 -1.954 2.851 0.656 674 H GLN 84 HN GLN 84 -3.267 -1.454 -0.869 675 HA GLN 84 HA GLN 84 -1.082 -3.403 -1.514 676 HB2 GLN 84 HB2 GLN 84 -4.068 -3.749 -1.141 677 HB3 GLN 84 HB1 GLN 84 -2.995 -5.033 -1.703 678 HG2 GLN 84 HG2 GLN 84 -1.675 -4.862 0.354 679 HG3 GLN 84 HG1 GLN 84 -2.689 -3.532 0.912 680 HE21 GLN 84 HE21 GLN 84 -2.833 -5.411 2.724 681 HE22 GLN 84 HE22 GLN 84 -4.180 -6.431 2.563 682 H VAL 85 HN VAL 85 -0.553 -3.688 -3.606 683 HA VAL 85 HA VAL 85 -2.297 -2.508 -5.716 684 HB VAL 85 HB VAL 85 0.509 -3.610 -5.970 685 HG11 VAL 85 HG11 VAL 85 0.545 -2.276 -8.012 686 HG12 VAL 85 HG12 VAL 85 -1.072 -1.668 -7.670 687 HG13 VAL 85 HG13 VAL 85 -0.834 -3.373 -8.051 688 HG21 VAL 85 HG21 VAL 85 0.455 -1.779 -4.317 689 HG22 VAL 85 HG22 VAL 85 -0.419 -0.764 -5.465 690 HG23 VAL 85 HG23 VAL 85 1.242 -1.251 -5.804 691 H ASN 86 HN ASN 86 -3.345 -3.820 -7.192 692 HA ASN 86 HA ASN 86 -2.685 -6.750 -7.179 693 HB2 ASN 86 HB2 ASN 86 -5.150 -7.128 -7.485 694 HB3 ASN 86 HB1 ASN 86 -4.724 -6.469 -5.905 695 HD21 ASN 86 HD21 ASN 86 -6.501 -5.133 -5.415 696 HD22 ASN 86 HD22 ASN 86 -7.067 -3.891 -6.426 697 H LYS 87 HN LYS 87 -4.368 -7.586 -9.125 698 HA LYS 87 HA LYS 87 -3.051 -6.810 -11.539 699 HB2 LYS 87 HB2 LYS 87 -5.653 -8.279 -11.044 700 HB3 LYS 87 HB1 LYS 87 -4.896 -8.126 -12.630 701 HG2 LYS 87 HG2 LYS 87 -2.899 -9.270 -11.840 702 HG3 LYS 87 HG1 LYS 87 -3.533 -9.310 -10.197 703 HD2 LYS 87 HD2 LYS 87 -3.986 -11.471 -11.063 704 HD3 LYS 87 HD1 LYS 87 -5.522 -10.615 -11.160 705 HE2 LYS 87 HE2 LYS 87 -5.265 -10.236 -13.515 706 HE3 LYS 87 HE1 LYS 87 -3.580 -10.756 -13.482 707 HZ1 LYS 87 HZ1 LYS 87 -5.828 -12.323 -13.922 708 HZ2 LYS 87 HZ2 LYS 87 -5.223 -12.775 -12.400 709 HZ3 LYS 87 HZ3 LYS 87 -4.220 -12.841 -13.770 710 H ASN 88 HN ASN 88 -6.222 -5.910 -10.187 711 HA ASN 88 HA ASN 88 -7.083 -4.371 -12.451 712 HB2 ASN 88 HB2 ASN 88 -7.844 -4.380 -9.529 713 HB3 ASN 88 HB1 ASN 88 -8.574 -3.242 -10.662 714 HD21 ASN 88 HD21 ASN 88 -10.151 -5.247 -9.378 715 HD22 ASN 88 HD22 ASN 88 -10.668 -6.359 -10.551 716 H SER 89 HN SER 89 -4.806 -3.734 -9.945 717 HA SER 89 HA SER 89 -4.951 -0.817 -10.202 718 HB2 SER 89 HB2 SER 89 -2.893 -2.583 -8.849 719 HB3 SER 89 HB1 SER 89 -2.954 -0.827 -8.738 720 HG SER 89 HG SER 89 -4.597 -2.767 -7.603 721 H SER 90 HN SER 90 -2.985 0.440 -10.880 722 HA SER 90 HA SER 90 -1.335 -0.949 -12.945 723 HB2 SER 90 HB2 SER 90 -2.936 1.598 -13.312 724 HB3 SER 90 HB1 SER 90 -1.684 1.058 -14.426 725 HG SER 90 HG SER 90 -3.515 0.196 -15.228 726 H ILE 91 HN ILE 91 0.628 0.400 -13.515 727 HA ILE 91 HA ILE 91 1.320 2.446 -11.464 728 HB ILE 91 HB ILE 91 3.002 0.030 -12.191 729 HG12 ILE 91 HG12 ILE 91 1.941 0.936 -9.495 730 HG13 ILE 91 HG11 ILE 91 1.160 -0.288 -10.493 731 HG21 ILE 91 HG21 ILE 91 4.578 1.056 -10.464 732 HG22 ILE 91 HG22 ILE 91 3.631 2.536 -10.611 733 HG23 ILE 91 HG23 ILE 91 4.490 1.896 -12.011 734 HD11 ILE 91 HD11 ILE 91 3.893 -0.413 -9.227 735 HD12 ILE 91 HD12 ILE 91 3.392 -1.524 -10.496 736 HD13 ILE 91 HD13 ILE 91 2.530 -1.494 -8.961 737 H GLU 92 HN GLU 92 2.270 4.193 -12.451 738 HA GLU 92 HA GLU 92 3.565 3.776 -15.129 739 HB2 GLU 92 HB2 GLU 92 1.306 4.783 -15.409 740 HB3 GLU 92 HB1 GLU 92 1.780 6.101 -14.340 741 HG2 GLU 92 HG2 GLU 92 3.583 6.734 -15.880 742 HG3 GLU 92 HG1 GLU 92 3.173 5.384 -16.938 743 H LYS 93 HN LYS 93 5.516 4.741 -15.308 744 HA LYS 93 HA LYS 93 6.725 5.941 -12.951 745 HB2 LYS 93 HB2 LYS 93 7.967 4.510 -14.561 746 HB3 LYS 93 HB1 LYS 93 7.797 5.767 -15.784 747 HG2 LYS 93 HG2 LYS 93 8.992 7.355 -14.312 748 HG3 LYS 93 HG1 LYS 93 9.191 6.086 -13.106 749 HD2 LYS 93 HD2 LYS 93 10.182 5.798 -15.949 750 HD3 LYS 93 HD1 LYS 93 11.177 6.490 -14.671 751 HE2 LYS 93 HE2 LYS 93 10.708 4.346 -13.344 752 HE3 LYS 93 HE1 LYS 93 10.074 3.679 -14.848 753 HZ1 LYS 93 HZ1 LYS 93 12.348 4.654 -15.735 754 HZ2 LYS 93 HZ2 LYS 93 12.221 3.086 -15.094 755 HZ3 LYS 93 HZ3 LYS 93 12.815 4.355 -14.133 756 H LEU 94 HN LEU 94 7.160 8.110 -12.576 757 HA LEU 94 HA LEU 94 5.810 10.033 -14.392 758 HB2 LEU 94 HB2 LEU 94 6.123 9.839 -11.564 759 HB3 LEU 94 HB1 LEU 94 6.996 11.286 -12.046 760 HG LEU 94 HG LEU 94 4.667 11.847 -11.537 761 HD11 LEU 94 HD11 LEU 94 4.427 13.289 -13.290 762 HD12 LEU 94 HD12 LEU 94 4.577 12.027 -14.511 763 HD13 LEU 94 HD13 LEU 94 6.019 12.689 -13.743 764 HD21 LEU 94 HD21 LEU 94 4.003 9.364 -12.427 765 HD22 LEU 94 HD22 LEU 94 3.569 10.307 -13.852 766 HD23 LEU 94 HD23 LEU 94 2.842 10.681 -12.293 767 H SER 95 HN SER 95 6.851 11.656 -15.447 768 HA SER 95 HA SER 95 9.739 11.313 -15.869 769 HB2 SER 95 HB2 SER 95 8.151 11.764 -17.760 770 HB3 SER 95 HB1 SER 95 7.834 13.351 -17.064 771 HG SER 95 HG SER 95 9.795 12.666 -18.671 772 H GLU 96 HN GLU 96 7.776 13.092 -13.754 773 HA GLU 96 HA GLU 96 9.820 15.253 -13.466 774 HB2 GLU 96 HB2 GLU 96 6.935 15.131 -12.580 775 HB3 GLU 96 HB1 GLU 96 8.035 16.459 -12.201 776 HG2 GLU 96 HG2 GLU 96 8.343 16.959 -14.543 777 HG3 GLU 96 HG1 GLU 96 7.444 15.517 -15.016 778 HA PRO 97 HA PRO 97 10.838 13.162 -9.603 779 HB2 PRO 97 HB2 PRO 97 12.587 14.964 -8.555 780 HB3 PRO 97 HB1 PRO 97 13.003 13.942 -9.948 781 HG2 PRO 97 HG2 PRO 97 12.119 16.799 -9.900 782 HG3 PRO 97 HG1 PRO 97 13.400 16.032 -10.858 783 HD2 PRO 97 HD2 PRO 97 10.899 16.577 -11.867 784 HD3 PRO 97 HD1 PRO 97 11.917 15.245 -12.458 785 H ILE 98 HN ILE 98 10.369 13.361 -7.326 786 HA ILE 98 HA ILE 98 8.529 15.629 -6.630 787 HB ILE 98 HB ILE 98 8.647 12.787 -5.581 788 HG12 ILE 98 HG12 ILE 98 6.492 14.256 -7.131 789 HG13 ILE 98 HG11 ILE 98 7.671 13.176 -7.868 790 HG21 ILE 98 HG21 ILE 98 8.010 14.198 -3.744 791 HG22 ILE 98 HG22 ILE 98 6.513 13.519 -4.387 792 HG23 ILE 98 HG23 ILE 98 6.969 15.179 -4.775 793 HD11 ILE 98 HD11 ILE 98 5.476 12.496 -5.920 794 HD12 ILE 98 HD12 ILE 98 6.847 11.415 -6.168 795 HD13 ILE 98 HD13 ILE 98 5.778 11.810 -7.514 796 H GLU 99 HN GLU 99 9.093 16.897 -4.917 797 HA GLU 99 HA GLU 99 11.706 16.379 -3.637 798 HB2 GLU 99 HB2 GLU 99 11.064 18.658 -4.455 799 HB3 GLU 99 HB1 GLU 99 9.780 18.691 -3.248 800 HG2 GLU 99 HG2 GLU 99 11.672 19.861 -2.319 801 HG3 GLU 99 HG1 GLU 99 11.551 18.319 -1.477 802 H VAL 100 HN VAL 100 11.858 15.338 -1.743 803 HA VAL 100 HA VAL 100 9.442 15.153 0.032 804 HB VAL 100 HB VAL 100 11.915 13.395 -0.020 805 HG11 VAL 100 HG11 VAL 100 9.238 13.239 1.386 806 HG12 VAL 100 HG12 VAL 100 10.842 13.273 2.118 807 HG13 VAL 100 HG13 VAL 100 10.313 11.850 1.221 808 HG21 VAL 100 HG21 VAL 100 10.340 11.735 -1.094 809 HG22 VAL 100 HG22 VAL 100 10.756 13.108 -2.120 810 HG23 VAL 100 HG23 VAL 100 9.192 13.057 -1.307 811 H GLY 101 HN GLY 101 12.588 16.453 -0.302 812 HA2 GLY 101 HA2 GLY 101 13.079 16.724 2.592 813 HA3 GLY 101 HA1 GLY 101 14.133 17.302 1.299 814 H LEU 102 HN LEU 102 12.215 18.383 3.695 815 HA LEU 102 HA LEU 102 11.000 20.647 2.254 816 HB2 LEU 102 HB2 LEU 102 11.073 20.041 5.226 817 HB3 LEU 102 HB1 LEU 102 10.028 21.212 4.419 818 HG LEU 102 HG LEU 102 10.020 18.219 3.914 819 HD11 LEU 102 HD11 LEU 102 7.996 18.121 5.168 820 HD12 LEU 102 HD12 LEU 102 7.860 19.879 5.230 821 HD13 LEU 102 HD13 LEU 102 9.118 19.057 6.155 822 HD21 LEU 102 HD21 LEU 102 7.759 18.957 2.788 823 HD22 LEU 102 HD22 LEU 102 9.265 19.168 1.904 824 HD23 LEU 102 HD23 LEU 102 8.520 20.547 2.712 825 H GLU 103 HN GLU 103 12.432 22.145 1.670 826 HA GLU 103 HA GLU 103 14.845 22.748 3.183 827 HB2 GLU 103 HB2 GLU 103 13.516 24.101 0.815 828 HB3 GLU 103 HB1 GLU 103 15.074 24.593 1.481 829 HG2 GLU 103 HG2 GLU 103 16.006 22.379 1.028 830 HG3 GLU 103 HG1 GLU 103 14.439 21.812 0.452 831 H HIS 104 HN HIS 104 11.642 23.557 3.664 832 HA HIS 104 HA HIS 104 10.567 25.301 4.826 833 HB2 HIS 104 HB2 HIS 104 13.287 25.246 6.167 834 HB3 HIS 104 HB1 HIS 104 11.900 26.140 6.791 835 HD1 HIS 104 HD1 HIS 104 13.032 22.603 6.049 836 HD2 HIS 104 HD2 HIS 104 9.982 24.564 8.106 837 HE1 HIS 104 HE1 HIS 104 11.786 20.821 7.350 838 H HIS 105 HN HIS 105 11.611 26.109 2.356 839 HA HIS 105 HA HIS 105 13.305 28.396 2.412 840 HB2 HIS 105 HB2 HIS 105 12.620 27.174 0.345 841 HB3 HIS 105 HB1 HIS 105 10.995 27.830 0.526 842 HD1 HIS 105 HD1 HIS 105 10.663 30.369 0.065 843 HD2 HIS 105 HD2 HIS 105 14.568 29.044 -0.545 844 HE1 HIS 105 HE1 HIS 105 11.864 32.224 -1.173 845 H HIS 106 HN HIS 106 9.753 28.126 2.644 846 HA HIS 106 HA HIS 106 9.690 30.687 4.121 847 HB2 HIS 106 HB2 HIS 106 7.938 31.627 2.639 848 HB3 HIS 106 HB1 HIS 106 9.458 31.397 1.777 849 HD1 HIS 106 HD1 HIS 106 9.591 29.366 0.105 850 HD2 HIS 106 HD2 HIS 106 5.803 30.028 1.716 851 HE1 HIS 106 HE1 HIS 106 7.968 28.028 -1.307 852 H HIS 107 HN HIS 107 7.486 31.054 5.054 853 HA HIS 107 HA HIS 107 5.821 28.575 5.224 854 HB2 HIS 107 HB2 HIS 107 5.648 29.059 7.723 855 HB3 HIS 107 HB1 HIS 107 7.195 28.415 7.176 856 HD1 HIS 107 HD1 HIS 107 5.638 31.390 8.731 857 HD2 HIS 107 HD2 HIS 107 9.296 30.432 6.976 858 HE1 HIS 107 HE1 HIS 107 7.246 33.240 9.371 859 H HIS 108 HN HIS 108 5.168 30.818 3.701 860 HA HIS 108 HA HIS 108 3.645 32.791 5.114 861 HB2 HIS 108 HB2 HIS 108 4.365 33.028 2.739 862 HB3 HIS 108 HB1 HIS 108 3.226 31.759 2.290 863 HD1 HIS 108 HD1 HIS 108 0.696 32.323 2.378 864 HD2 HIS 108 HD2 HIS 108 3.160 35.529 3.393 865 HE1 HIS 108 HE1 HIS 108 -0.779 34.382 2.393 866 H HIS 109 HN HIS 109 2.749 29.676 3.651 867 HA HIS 109 HA HIS 109 -0.042 29.800 4.067 868 HB2 HIS 109 HB2 HIS 109 1.787 27.389 4.271 869 HB3 HIS 109 HB1 HIS 109 0.035 27.326 4.072 870 HD1 HIS 109 HD1 HIS 109 -0.898 28.520 1.815 871 HD2 HIS 109 HD2 HIS 109 3.182 27.663 1.886 872 HE1 HIS 109 HE1 HIS 109 -0.100 28.635 -0.586 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -10.882 14.116 -16.938 2 H2 MET 1 HT2 MET 1 -12.496 14.068 -17.465 3 H3 MET 1 HT3 MET 1 -11.351 12.999 -18.124 4 HA MET 1 HA MET 1 -12.664 12.929 -15.500 5 HB2 MET 1 HB2 MET 1 -11.886 10.863 -17.587 6 HB3 MET 1 HB1 MET 1 -12.749 10.503 -16.090 7 HG2 MET 1 HG2 MET 1 -13.730 12.439 -18.209 8 HG3 MET 1 HG1 MET 1 -14.275 10.768 -18.062 9 HE1 MET 1 HE1 MET 1 -16.728 11.402 -17.860 10 HE2 MET 1 HE2 MET 1 -17.369 11.368 -16.220 11 HE3 MET 1 HE3 MET 1 -16.268 10.100 -16.753 12 H GLU 2 HN GLU 2 -10.320 14.041 -15.034 13 HA GLU 2 HA GLU 2 -8.013 12.406 -14.915 14 HB2 GLU 2 HB2 GLU 2 -7.491 14.015 -12.876 15 HB3 GLU 2 HB1 GLU 2 -7.584 14.668 -14.512 16 HG2 GLU 2 HG2 GLU 2 -9.763 15.531 -14.173 17 HG3 GLU 2 HG1 GLU 2 -10.025 14.539 -12.738 18 HA PRO 3 HA PRO 3 -8.924 9.559 -11.622 19 HB2 PRO 3 HB2 PRO 3 -6.430 9.167 -10.540 20 HB3 PRO 3 HB1 PRO 3 -6.920 8.504 -12.111 21 HG2 PRO 3 HG2 PRO 3 -5.314 10.952 -11.510 22 HG3 PRO 3 HG1 PRO 3 -5.060 9.715 -12.756 23 HD2 PRO 3 HD2 PRO 3 -6.207 12.122 -13.320 24 HD3 PRO 3 HD1 PRO 3 -6.648 10.636 -14.190 25 H GLN 4 HN GLN 4 -9.124 9.407 -9.294 26 HA GLN 4 HA GLN 4 -9.238 12.017 -7.978 27 HB2 GLN 4 HB2 GLN 4 -10.987 10.264 -7.662 28 HB3 GLN 4 HB1 GLN 4 -9.786 9.252 -6.861 29 HG2 GLN 4 HG2 GLN 4 -9.456 10.978 -5.143 30 HG3 GLN 4 HG1 GLN 4 -10.632 12.016 -5.950 31 HE21 GLN 4 HE21 GLN 4 -12.410 11.984 -4.534 32 HE22 GLN 4 HE22 GLN 4 -13.166 10.569 -3.981 33 H LEU 5 HN LEU 5 -7.437 12.866 -7.067 34 HA LEU 5 HA LEU 5 -5.220 11.103 -6.211 35 HB2 LEU 5 HB2 LEU 5 -5.449 14.128 -6.140 36 HB3 LEU 5 HB1 LEU 5 -3.972 13.186 -5.935 37 HG LEU 5 HG LEU 5 -5.695 13.235 -8.430 38 HD11 LEU 5 HD11 LEU 5 -4.550 15.328 -8.250 39 HD12 LEU 5 HD12 LEU 5 -3.615 14.352 -9.383 40 HD13 LEU 5 HD13 LEU 5 -3.061 14.547 -7.719 41 HD21 LEU 5 HD21 LEU 5 -4.674 11.120 -8.460 42 HD22 LEU 5 HD22 LEU 5 -3.228 11.692 -7.627 43 HD23 LEU 5 HD23 LEU 5 -3.493 12.102 -9.321 44 H THR 6 HN THR 6 -4.838 10.584 -4.126 45 HA THR 6 HA THR 6 -6.321 12.060 -1.969 46 HB THR 6 HB THR 6 -5.666 9.099 -2.086 47 HG1 THR 6 HG1 THR 6 -8.168 10.426 -2.166 48 HG21 THR 6 HG21 THR 6 -5.624 9.882 0.193 49 HG22 THR 6 HG22 THR 6 -7.173 9.076 -0.058 50 HG23 THR 6 HG23 THR 6 -7.085 10.839 -0.055 51 H LYS 7 HN LYS 7 -5.121 12.566 -0.136 52 HA LYS 7 HA LYS 7 -2.183 12.288 -0.407 53 HB2 LYS 7 HB2 LYS 7 -3.935 13.875 1.491 54 HB3 LYS 7 HB1 LYS 7 -2.171 13.903 1.510 55 HG2 LYS 7 HG2 LYS 7 -2.150 14.712 -0.815 56 HG3 LYS 7 HG1 LYS 7 -3.913 14.668 -0.852 57 HD2 LYS 7 HD2 LYS 7 -3.997 16.313 0.987 58 HD3 LYS 7 HD1 LYS 7 -2.233 16.363 1.019 59 HE2 LYS 7 HE2 LYS 7 -2.200 17.169 -1.305 60 HE3 LYS 7 HE1 LYS 7 -3.961 17.097 -1.362 61 HZ1 LYS 7 HZ1 LYS 7 -2.728 18.620 0.806 62 HZ2 LYS 7 HZ2 LYS 7 -4.178 18.905 -0.032 63 HZ3 LYS 7 HZ3 LYS 7 -2.687 19.298 -0.748 64 H ILE 8 HN ILE 8 -0.900 11.351 1.224 65 HA ILE 8 HA ILE 8 -1.833 9.005 2.463 66 HB ILE 8 HB ILE 8 0.469 10.826 3.214 67 HG12 ILE 8 HG12 ILE 8 0.476 8.185 1.723 68 HG13 ILE 8 HG11 ILE 8 0.439 9.754 0.918 69 HG21 ILE 8 HG21 ILE 8 -0.232 8.043 4.177 70 HG22 ILE 8 HG22 ILE 8 0.036 9.486 5.154 71 HG23 ILE 8 HG23 ILE 8 1.387 8.727 4.317 72 HD11 ILE 8 HD11 ILE 8 2.626 8.587 2.638 73 HD12 ILE 8 HD12 ILE 8 2.535 10.317 2.327 74 HD13 ILE 8 HD13 ILE 8 2.740 9.190 0.988 75 H VAL 9 HN VAL 9 -1.453 12.253 3.830 76 HA VAL 9 HA VAL 9 -2.284 11.596 6.489 77 HB VAL 9 HB VAL 9 -1.159 13.737 5.790 78 HG11 VAL 9 HG11 VAL 9 -3.912 14.648 4.941 79 HG12 VAL 9 HG12 VAL 9 -2.760 13.986 3.781 80 HG13 VAL 9 HG13 VAL 9 -2.364 15.451 4.681 81 HG21 VAL 9 HG21 VAL 9 -3.798 14.287 7.167 82 HG22 VAL 9 HG22 VAL 9 -2.243 15.068 7.447 83 HG23 VAL 9 HG23 VAL 9 -2.495 13.400 7.958 84 H ASP 10 HN ASP 10 -4.018 11.451 3.631 85 HA ASP 10 HA ASP 10 -6.644 12.070 4.921 86 HB2 ASP 10 HB2 ASP 10 -6.009 13.016 2.631 87 HB3 ASP 10 HB1 ASP 10 -6.126 11.365 2.023 88 H ILE 11 HN ILE 11 -4.652 9.494 4.789 89 HA ILE 11 HA ILE 11 -6.576 7.461 3.907 90 HB ILE 11 HB ILE 11 -3.894 7.182 5.301 91 HG12 ILE 11 HG12 ILE 11 -4.033 8.321 2.946 92 HG13 ILE 11 HG11 ILE 11 -2.854 7.048 3.208 93 HG21 ILE 11 HG21 ILE 11 -5.015 5.137 5.599 94 HG22 ILE 11 HG22 ILE 11 -4.046 4.873 4.151 95 HG23 ILE 11 HG23 ILE 11 -5.770 5.211 4.006 96 HD11 ILE 11 HD11 ILE 11 -4.065 5.487 1.961 97 HD12 ILE 11 HD12 ILE 11 -4.333 6.980 1.066 98 HD13 ILE 11 HD13 ILE 11 -5.581 6.368 2.142 99 H VAL 12 HN VAL 12 -8.236 6.992 5.259 100 HA VAL 12 HA VAL 12 -7.621 6.298 8.063 101 HB VAL 12 HB VAL 12 -9.497 7.707 8.917 102 HG11 VAL 12 HG11 VAL 12 -8.223 9.728 9.007 103 HG12 VAL 12 HG12 VAL 12 -7.459 9.397 7.452 104 HG13 VAL 12 HG13 VAL 12 -7.043 8.425 8.863 105 HG21 VAL 12 HG21 VAL 12 -10.391 9.488 7.496 106 HG22 VAL 12 HG22 VAL 12 -10.684 7.925 6.733 107 HG23 VAL 12 HG23 VAL 12 -9.378 8.958 6.154 108 H GLU 13 HN GLU 13 -8.995 5.483 5.233 109 HA GLU 13 HA GLU 13 -11.030 3.729 6.564 110 HB2 GLU 13 HB2 GLU 13 -12.165 5.607 5.371 111 HB3 GLU 13 HB1 GLU 13 -11.372 5.102 3.878 112 HG2 GLU 13 HG2 GLU 13 -12.460 2.910 4.009 113 HG3 GLU 13 HG1 GLU 13 -13.207 3.354 5.544 114 H ASN 14 HN ASN 14 -10.744 1.613 6.043 115 HA ASN 14 HA ASN 14 -8.637 0.916 4.100 116 HB2 ASN 14 HB2 ASN 14 -8.855 -1.347 4.988 117 HB3 ASN 14 HB1 ASN 14 -8.747 -0.196 6.320 118 HD21 ASN 14 HD21 ASN 14 -9.876 -2.258 7.361 119 HD22 ASN 14 HD22 ASN 14 -11.573 -2.239 7.349 120 H GLY 15 HN GLY 15 -9.017 -0.767 2.456 121 HA2 GLY 15 HA2 GLY 15 -10.240 -1.717 0.691 122 HA3 GLY 15 HA1 GLY 15 -11.679 -1.566 1.702 123 H GLN 16 HN GLN 16 -9.821 1.294 1.169 124 HA GLN 16 HA GLN 16 -12.063 2.423 -0.418 125 HB2 GLN 16 HB2 GLN 16 -11.281 3.689 1.539 126 HB3 GLN 16 HB1 GLN 16 -9.655 3.756 0.858 127 HG2 GLN 16 HG2 GLN 16 -10.409 5.078 -1.009 128 HG3 GLN 16 HG1 GLN 16 -12.099 4.851 -0.555 129 HE21 GLN 16 HE21 GLN 16 -9.688 7.121 -0.419 130 HE22 GLN 16 HE22 GLN 16 -10.171 7.968 0.971 131 H TRP 17 HN TRP 17 -11.846 3.089 -2.511 132 HA TRP 17 HA TRP 17 -9.354 2.310 -3.932 133 HB2 TRP 17 HB2 TRP 17 -12.135 3.071 -4.870 134 HB3 TRP 17 HB1 TRP 17 -10.790 2.771 -5.973 135 HD1 TRP 17 HD1 TRP 17 -13.329 1.026 -3.824 136 HE1 TRP 17 HE1 TRP 17 -13.047 -1.528 -4.051 137 HE3 TRP 17 HE3 TRP 17 -8.906 0.851 -6.367 138 HZ2 TRP 17 HZ2 TRP 17 -11.189 -3.397 -5.167 139 HZ3 TRP 17 HZ3 TRP 17 -7.902 -1.324 -6.999 140 HH2 TRP 17 HH2 TRP 17 -9.037 -3.447 -6.403 141 H ALA 18 HN ALA 18 -7.912 3.827 -4.537 142 HA ALA 18 HA ALA 18 -8.756 6.520 -5.300 143 HB1 ALA 18 HB1 ALA 18 -7.118 6.096 -2.781 144 HB2 ALA 18 HB2 ALA 18 -8.698 6.871 -2.904 145 HB3 ALA 18 HB3 ALA 18 -7.280 7.650 -3.603 146 H ASN 19 HN ASN 19 -6.549 7.879 -5.558 147 HA ASN 19 HA ASN 19 -4.479 6.064 -6.778 148 HB2 ASN 19 HB2 ASN 19 -5.293 8.771 -7.868 149 HB3 ASN 19 HB1 ASN 19 -4.254 7.568 -8.635 150 HD21 ASN 19 HD21 ASN 19 -7.412 8.728 -8.611 151 HD22 ASN 19 HD22 ASN 19 -8.193 7.372 -9.268 152 H LEU 20 HN LEU 20 -2.342 6.652 -6.323 153 HA LEU 20 HA LEU 20 -1.885 9.248 -4.912 154 HB2 LEU 20 HB2 LEU 20 -0.907 6.538 -3.954 155 HB3 LEU 20 HB1 LEU 20 -0.484 8.095 -3.246 156 HG LEU 20 HG LEU 20 -3.195 8.318 -3.172 157 HD11 LEU 20 HD11 LEU 20 -4.288 6.265 -2.715 158 HD12 LEU 20 HD12 LEU 20 -2.767 5.386 -2.571 159 HD13 LEU 20 HD13 LEU 20 -3.320 5.937 -4.152 160 HD21 LEU 20 HD21 LEU 20 -1.798 8.639 -1.225 161 HD22 LEU 20 HD22 LEU 20 -1.409 6.919 -1.158 162 HD23 LEU 20 HD23 LEU 20 -3.046 7.468 -0.808 163 H LYS 21 HN LYS 21 0.109 10.137 -5.283 164 HA LYS 21 HA LYS 21 1.982 8.649 -7.099 165 HB2 LYS 21 HB2 LYS 21 0.677 10.526 -8.197 166 HB3 LYS 21 HB1 LYS 21 1.497 11.639 -7.100 167 HG2 LYS 21 HG2 LYS 21 3.692 10.613 -7.949 168 HG3 LYS 21 HG1 LYS 21 2.728 9.868 -9.222 169 HD2 LYS 21 HD2 LYS 21 2.681 12.848 -8.683 170 HD3 LYS 21 HD1 LYS 21 3.810 12.102 -9.810 171 HE2 LYS 21 HE2 LYS 21 1.854 11.104 -11.019 172 HE3 LYS 21 HE1 LYS 21 0.785 12.031 -9.966 173 HZ1 LYS 21 HZ1 LYS 21 2.825 13.108 -11.831 174 HZ2 LYS 21 HZ2 LYS 21 1.958 14.052 -10.715 175 HZ3 LYS 21 HZ3 LYS 21 1.140 13.251 -11.970 176 H ALA 22 HN ALA 22 4.064 8.650 -6.449 177 HA ALA 22 HA ALA 22 5.228 10.678 -4.772 178 HB1 ALA 22 HB1 ALA 22 4.281 8.157 -3.402 179 HB2 ALA 22 HB2 ALA 22 3.939 9.831 -2.965 180 HB3 ALA 22 HB3 ALA 22 5.558 9.176 -2.736 181 H LYS 23 HN LYS 23 7.191 9.533 -3.545 182 HA LYS 23 HA LYS 23 8.702 8.028 -5.674 183 HB2 LYS 23 HB2 LYS 23 9.569 10.290 -5.158 184 HB3 LYS 23 HB1 LYS 23 9.833 9.795 -3.489 185 HG2 LYS 23 HG2 LYS 23 11.357 8.004 -4.266 186 HG3 LYS 23 HG1 LYS 23 11.109 8.522 -5.931 187 HD2 LYS 23 HD2 LYS 23 12.123 10.408 -3.799 188 HD3 LYS 23 HD1 LYS 23 13.215 9.397 -4.741 189 HE2 LYS 23 HE2 LYS 23 12.118 10.400 -6.829 190 HE3 LYS 23 HE1 LYS 23 11.376 11.579 -5.747 191 HZ1 LYS 23 HZ1 LYS 23 14.249 11.121 -5.500 192 HZ2 LYS 23 HZ2 LYS 23 13.352 12.546 -5.273 193 HZ3 LYS 23 HZ3 LYS 23 13.708 12.003 -6.843 194 H VAL 24 HN VAL 24 10.074 6.300 -5.051 195 HA VAL 24 HA VAL 24 9.081 4.844 -2.701 196 HB VAL 24 HB VAL 24 11.217 4.182 -4.739 197 HG11 VAL 24 HG11 VAL 24 10.745 1.810 -3.856 198 HG12 VAL 24 HG12 VAL 24 10.005 2.604 -2.466 199 HG13 VAL 24 HG13 VAL 24 11.713 2.863 -2.825 200 HG21 VAL 24 HG21 VAL 24 9.520 2.792 -5.763 201 HG22 VAL 24 HG22 VAL 24 8.857 4.415 -5.572 202 HG23 VAL 24 HG23 VAL 24 8.389 3.135 -4.453 203 H ILE 25 HN ILE 25 9.859 5.902 -0.816 204 HA ILE 25 HA ILE 25 12.511 6.902 -0.529 205 HB ILE 25 HB ILE 25 10.487 7.499 0.841 206 HG12 ILE 25 HG12 ILE 25 11.698 7.614 2.981 207 HG13 ILE 25 HG11 ILE 25 12.923 6.527 2.352 208 HG21 ILE 25 HG21 ILE 25 11.085 4.963 2.359 209 HG22 ILE 25 HG22 ILE 25 9.829 5.053 1.127 210 HG23 ILE 25 HG23 ILE 25 9.721 6.059 2.570 211 HD11 ILE 25 HD11 ILE 25 12.297 9.002 0.776 212 HD12 ILE 25 HD12 ILE 25 13.826 8.142 0.956 213 HD13 ILE 25 HD13 ILE 25 13.240 9.174 2.256 214 H GLN 26 HN GLN 26 11.080 3.738 0.056 215 HA GLN 26 HA GLN 26 13.802 2.609 0.390 216 HB2 GLN 26 HB2 GLN 26 11.591 2.403 2.441 217 HB3 GLN 26 HB1 GLN 26 12.898 1.223 2.355 218 HG2 GLN 26 HG2 GLN 26 14.555 3.012 2.644 219 HG3 GLN 26 HG1 GLN 26 13.267 4.213 2.696 220 HE21 GLN 26 HE21 GLN 26 15.304 2.892 4.775 221 HE22 GLN 26 HE22 GLN 26 14.313 2.665 6.135 222 H LEU 27 HN LEU 27 13.941 0.753 -0.764 223 HA LEU 27 HA LEU 27 11.405 -0.626 -1.559 224 HB2 LEU 27 HB2 LEU 27 12.616 0.456 -3.444 225 HB3 LEU 27 HB1 LEU 27 14.055 -0.474 -3.028 226 HG LEU 27 HG LEU 27 12.828 -2.567 -3.428 227 HD11 LEU 27 HD11 LEU 27 10.577 -2.173 -4.768 228 HD12 LEU 27 HD12 LEU 27 10.541 -0.666 -3.856 229 HD13 LEU 27 HD13 LEU 27 10.566 -2.212 -3.007 230 HD21 LEU 27 HD21 LEU 27 12.892 -0.496 -5.624 231 HD22 LEU 27 HD22 LEU 27 12.439 -2.171 -5.944 232 HD23 LEU 27 HD23 LEU 27 14.042 -1.797 -5.310 233 H TRP 28 HN TRP 28 11.407 -2.919 -1.489 234 HA TRP 28 HA TRP 28 13.856 -4.274 -0.499 235 HB2 TRP 28 HB2 TRP 28 11.179 -4.298 0.908 236 HB3 TRP 28 HB1 TRP 28 12.454 -5.473 1.227 237 HD1 TRP 28 HD1 TRP 28 11.319 -2.061 2.137 238 HE1 TRP 28 HE1 TRP 28 13.085 -0.895 3.610 239 HE3 TRP 28 HE3 TRP 28 15.238 -5.274 1.521 240 HZ2 TRP 28 HZ2 TRP 28 15.803 -1.278 4.419 241 HZ3 TRP 28 HZ3 TRP 28 17.401 -4.850 2.651 242 HH2 TRP 28 HH2 TRP 28 17.689 -2.858 4.099 243 H GLU 29 HN GLU 29 14.137 -5.844 -1.935 244 HA GLU 29 HA GLU 29 12.039 -6.858 -3.653 245 HB2 GLU 29 HB2 GLU 29 14.831 -7.887 -3.081 246 HB3 GLU 29 HB1 GLU 29 13.765 -8.578 -4.304 247 HG2 GLU 29 HG2 GLU 29 13.645 -6.433 -5.464 248 HG3 GLU 29 HG1 GLU 29 14.631 -5.676 -4.212 249 H ASN 30 HN ASN 30 10.640 -8.553 -3.311 250 HA ASN 30 HA ASN 30 11.102 -10.266 -0.877 251 HB2 ASN 30 HB2 ASN 30 9.061 -8.679 -0.972 252 HB3 ASN 30 HB1 ASN 30 8.428 -9.780 -2.195 253 HD21 ASN 30 HD21 ASN 30 6.878 -10.984 -1.114 254 HD22 ASN 30 HD22 ASN 30 7.121 -11.800 0.354 255 H THR 31 HN THR 31 11.631 -12.320 -1.402 256 HA THR 31 HA THR 31 10.727 -13.419 -4.050 257 HB THR 31 HB THR 31 12.655 -14.924 -3.901 258 HG1 THR 31 HG1 THR 31 12.569 -14.121 -1.332 259 HG21 THR 31 HG21 THR 31 13.258 -11.998 -3.409 260 HG22 THR 31 HG22 THR 31 13.075 -12.802 -4.967 261 HG23 THR 31 HG23 THR 31 14.467 -13.163 -3.947 262 H HIS 32 HN HIS 32 9.730 -13.400 -1.001 263 HA HIS 32 HA HIS 32 9.554 -16.116 -0.186 264 HB2 HIS 32 HB2 HIS 32 7.680 -13.773 0.281 265 HB3 HIS 32 HB1 HIS 32 7.509 -15.338 1.082 266 HD1 HIS 32 HD1 HIS 32 10.571 -15.910 1.506 267 HD2 HIS 32 HD2 HIS 32 8.678 -12.326 2.490 268 HE1 HIS 32 HE1 HIS 32 12.010 -14.799 3.269 269 H GLU 33 HN GLU 33 8.472 -14.839 -3.010 270 HA GLU 33 HA GLU 33 7.214 -15.838 -4.721 271 HB2 GLU 33 HB2 GLU 33 7.683 -18.010 -3.249 272 HB3 GLU 33 HB1 GLU 33 5.976 -17.845 -2.846 273 HG2 GLU 33 HG2 GLU 33 7.088 -17.961 -5.669 274 HG3 GLU 33 HG1 GLU 33 6.312 -19.301 -4.825 275 H SER 34 HN SER 34 5.519 -15.853 -1.576 276 HA SER 34 HA SER 34 3.033 -14.948 -2.872 277 HB2 SER 34 HB2 SER 34 2.085 -14.993 -0.650 278 HB3 SER 34 HB1 SER 34 3.078 -16.438 -0.811 279 HG SER 34 HG SER 34 3.739 -13.984 0.451 280 H ILE 35 HN ILE 35 3.794 -12.913 -3.775 281 HA ILE 35 HA ILE 35 3.283 -10.520 -3.204 282 HB ILE 35 HB ILE 35 5.162 -11.189 -0.945 283 HG12 ILE 35 HG12 ILE 35 2.636 -9.557 -0.835 284 HG13 ILE 35 HG11 ILE 35 2.526 -11.312 -0.883 285 HG21 ILE 35 HG21 ILE 35 6.170 -9.212 -1.673 286 HG22 ILE 35 HG22 ILE 35 5.040 -8.685 -0.425 287 HG23 ILE 35 HG23 ILE 35 4.629 -8.494 -2.131 288 HD11 ILE 35 HD11 ILE 35 3.953 -9.634 1.198 289 HD12 ILE 35 HD12 ILE 35 4.080 -11.391 1.102 290 HD13 ILE 35 HD13 ILE 35 2.521 -10.634 1.433 291 H SER 36 HN SER 36 4.372 -9.042 -4.433 292 HA SER 36 HA SER 36 6.750 -9.979 -5.867 293 HB2 SER 36 HB2 SER 36 5.230 -8.801 -7.246 294 HB3 SER 36 HB1 SER 36 4.968 -7.550 -6.035 295 HG SER 36 HG SER 36 6.591 -6.516 -6.856 296 H GLN 37 HN GLN 37 5.973 -7.031 -3.995 297 HA GLN 37 HA GLN 37 8.578 -7.131 -2.663 298 HB2 GLN 37 HB2 GLN 37 9.353 -4.954 -3.544 299 HB3 GLN 37 HB1 GLN 37 9.200 -6.154 -4.828 300 HG2 GLN 37 HG2 GLN 37 6.915 -5.256 -5.320 301 HG3 GLN 37 HG1 GLN 37 7.210 -3.975 -4.144 302 HE21 GLN 37 HE21 GLN 37 8.822 -5.426 -7.035 303 HE22 GLN 37 HE22 GLN 37 9.397 -3.947 -7.634 304 H VAL 38 HN VAL 38 8.851 -5.277 -1.193 305 HA VAL 38 HA VAL 38 6.315 -3.888 -0.438 306 HB VAL 38 HB VAL 38 6.300 -5.792 1.026 307 HG11 VAL 38 HG11 VAL 38 8.231 -6.458 2.364 308 HG12 VAL 38 HG12 VAL 38 9.174 -5.122 1.712 309 HG13 VAL 38 HG13 VAL 38 8.676 -6.444 0.658 310 HG21 VAL 38 HG21 VAL 38 5.989 -3.446 2.023 311 HG22 VAL 38 HG22 VAL 38 7.626 -3.616 2.656 312 HG23 VAL 38 HG23 VAL 38 6.364 -4.739 3.163 313 H GLY 39 HN GLY 39 6.695 -1.951 0.830 314 HA2 GLY 39 HA2 GLY 39 9.257 -1.057 1.659 315 HA3 GLY 39 HA1 GLY 39 9.015 -0.499 0.006 316 H LEU 40 HN LEU 40 9.016 1.654 0.774 317 HA LEU 40 HA LEU 40 6.393 2.518 1.909 318 HB2 LEU 40 HB2 LEU 40 9.111 3.558 2.766 319 HB3 LEU 40 HB1 LEU 40 7.560 4.218 3.275 320 HG LEU 40 HG LEU 40 7.150 1.630 3.972 321 HD11 LEU 40 HD11 LEU 40 10.092 1.969 4.576 322 HD12 LEU 40 HD12 LEU 40 9.553 1.145 3.116 323 HD13 LEU 40 HD13 LEU 40 9.106 0.515 4.700 324 HD21 LEU 40 HD21 LEU 40 6.881 3.379 5.577 325 HD22 LEU 40 HD22 LEU 40 8.593 3.801 5.515 326 HD23 LEU 40 HD23 LEU 40 8.083 2.289 6.268 327 H LEU 41 HN LEU 41 5.789 4.666 1.300 328 HA LEU 41 HA LEU 41 7.178 5.632 -1.184 329 HB2 LEU 41 HB2 LEU 41 4.325 6.133 -0.293 330 HB3 LEU 41 HB1 LEU 41 5.033 6.560 -1.849 331 HG LEU 41 HG LEU 41 4.725 3.744 -0.774 332 HD11 LEU 41 HD11 LEU 41 3.232 5.197 -2.978 333 HD12 LEU 41 HD12 LEU 41 2.576 4.774 -1.397 334 HD13 LEU 41 HD13 LEU 41 3.018 3.503 -2.536 335 HD21 LEU 41 HD21 LEU 41 5.970 4.907 -3.263 336 HD22 LEU 41 HD22 LEU 41 5.256 3.295 -3.311 337 HD23 LEU 41 HD23 LEU 41 6.583 3.637 -2.204 338 H GLY 42 HN GLY 42 8.144 7.550 -1.046 339 HA2 GLY 42 HA2 GLY 42 7.830 9.190 1.395 340 HA3 GLY 42 HA1 GLY 42 9.116 9.348 0.200 341 H ASP 43 HN ASP 43 6.089 10.541 1.212 342 HA ASP 43 HA ASP 43 5.758 12.106 -1.331 343 HB2 ASP 43 HB2 ASP 43 3.834 10.618 -0.594 344 HB3 ASP 43 HB1 ASP 43 3.669 11.672 0.812 345 H GLU 44 HN GLU 44 4.824 14.325 -0.918 346 HA GLU 44 HA GLU 44 6.524 15.755 0.944 347 HB2 GLU 44 HB2 GLU 44 5.778 16.665 -1.259 348 HB3 GLU 44 HB1 GLU 44 4.133 16.750 -0.634 349 HG2 GLU 44 HG2 GLU 44 4.857 18.300 1.125 350 HG3 GLU 44 HG1 GLU 44 6.524 18.184 0.559 351 H THR 45 HN THR 45 3.412 14.292 1.188 352 HA THR 45 HA THR 45 2.600 16.023 3.461 353 HB THR 45 HB THR 45 0.495 14.842 3.364 354 HG1 THR 45 HG1 THR 45 1.773 13.144 1.487 355 HG21 THR 45 HG21 THR 45 0.886 16.549 1.621 356 HG22 THR 45 HG22 THR 45 -0.154 15.254 1.025 357 HG23 THR 45 HG23 THR 45 1.546 15.306 0.559 358 H GLY 46 HN GLY 46 4.348 13.148 2.909 359 HA2 GLY 46 HA2 GLY 46 5.274 12.610 5.386 360 HA3 GLY 46 HA1 GLY 46 3.647 11.938 5.516 361 H ILE 47 HN ILE 47 4.362 9.780 5.685 362 HA ILE 47 HA ILE 47 5.348 8.595 3.125 363 HB ILE 47 HB ILE 47 6.854 7.109 4.337 364 HG12 ILE 47 HG12 ILE 47 7.223 7.771 6.858 365 HG13 ILE 47 HG11 ILE 47 5.618 8.481 6.745 366 HG21 ILE 47 HG21 ILE 47 7.544 9.485 3.667 367 HG22 ILE 47 HG22 ILE 47 8.544 8.708 4.893 368 HG23 ILE 47 HG23 ILE 47 7.345 9.913 5.363 369 HD11 ILE 47 HD11 ILE 47 4.620 6.452 6.898 370 HD12 ILE 47 HD12 ILE 47 6.195 5.828 7.367 371 HD13 ILE 47 HD13 ILE 47 5.682 5.730 5.687 372 H ILE 48 HN ILE 48 4.815 6.265 2.949 373 HA ILE 48 HA ILE 48 2.860 5.196 4.878 374 HB ILE 48 HB ILE 48 1.428 6.571 3.433 375 HG12 ILE 48 HG12 ILE 48 1.089 3.670 2.654 376 HG13 ILE 48 HG11 ILE 48 0.731 4.268 4.275 377 HG21 ILE 48 HG21 ILE 48 2.895 6.592 1.455 378 HG22 ILE 48 HG22 ILE 48 1.261 6.087 1.032 379 HG23 ILE 48 HG23 ILE 48 2.545 4.887 1.175 380 HD11 ILE 48 HD11 ILE 48 -0.813 5.950 3.261 381 HD12 ILE 48 HD12 ILE 48 -1.320 4.289 2.967 382 HD13 ILE 48 HD13 ILE 48 -0.532 5.210 1.686 383 H LYS 49 HN LYS 49 2.633 2.924 4.693 384 HA LYS 49 HA LYS 49 4.815 1.589 3.272 385 HB2 LYS 49 HB2 LYS 49 3.963 0.959 5.581 386 HB3 LYS 49 HB1 LYS 49 2.531 0.309 4.782 387 HG2 LYS 49 HG2 LYS 49 3.879 -1.252 3.511 388 HG3 LYS 49 HG1 LYS 49 5.366 -0.528 4.124 389 HD2 LYS 49 HD2 LYS 49 4.713 -1.181 6.424 390 HD3 LYS 49 HD1 LYS 49 3.260 -1.948 5.780 391 HE2 LYS 49 HE2 LYS 49 6.078 -2.685 4.943 392 HE3 LYS 49 HE1 LYS 49 5.150 -3.557 6.164 393 HZ1 LYS 49 HZ1 LYS 49 4.694 -4.726 4.249 394 HZ2 LYS 49 HZ2 LYS 49 4.663 -3.341 3.267 395 HZ3 LYS 49 HZ3 LYS 49 3.372 -3.667 4.323 396 H PHE 50 HN PHE 50 4.297 -0.389 1.793 397 HA PHE 50 HA PHE 50 1.631 -0.490 0.673 398 HB2 PHE 50 HB2 PHE 50 2.096 0.297 -1.532 399 HB3 PHE 50 HB1 PHE 50 2.734 1.537 -0.457 400 HD1 PHE 50 HD2 PHE 50 5.221 1.615 0.017 401 HD2 PHE 50 HD1 PHE 50 3.522 -0.967 -2.966 402 HE1 PHE 50 HE2 PHE 50 7.456 1.339 -1.027 403 HE2 PHE 50 HE1 PHE 50 5.757 -1.245 -4.001 404 HZ PHE 50 HZ PHE 50 7.724 -0.091 -3.031 405 H THR 51 HN THR 51 1.426 -2.393 -0.658 406 HA THR 51 HA THR 51 3.876 -4.096 -0.926 407 HB THR 51 HB THR 51 2.849 -4.892 1.113 408 HG1 THR 51 HG1 THR 51 1.952 -6.547 -1.005 409 HG21 THR 51 HG21 THR 51 0.269 -5.108 -0.454 410 HG22 THR 51 HG22 THR 51 0.629 -3.822 0.696 411 HG23 THR 51 HG23 THR 51 0.499 -5.490 1.252 412 H ILE 52 HN ILE 52 3.967 -5.096 -2.847 413 HA ILE 52 HA ILE 52 1.589 -4.918 -4.664 414 HB ILE 52 HB ILE 52 4.516 -5.336 -5.332 415 HG12 ILE 52 HG12 ILE 52 2.746 -2.916 -5.783 416 HG13 ILE 52 HG11 ILE 52 3.855 -3.068 -4.421 417 HG21 ILE 52 HG21 ILE 52 2.026 -4.988 -7.027 418 HG22 ILE 52 HG22 ILE 52 3.126 -6.368 -7.014 419 HG23 ILE 52 HG23 ILE 52 3.662 -4.817 -7.662 420 HD11 ILE 52 HD11 ILE 52 4.912 -1.813 -6.248 421 HD12 ILE 52 HD12 ILE 52 4.621 -3.157 -7.353 422 HD13 ILE 52 HD13 ILE 52 5.737 -3.350 -6.004 423 H TRP 53 HN TRP 53 0.568 -6.780 -5.272 424 HA TRP 53 HA TRP 53 1.546 -9.318 -4.204 425 HB2 TRP 53 HB2 TRP 53 -0.889 -8.492 -5.792 426 HB3 TRP 53 HB1 TRP 53 -0.564 -10.175 -5.374 427 HD1 TRP 53 HD1 TRP 53 -2.005 -7.033 -3.997 428 HE1 TRP 53 HE1 TRP 53 -2.601 -7.348 -1.507 429 HE3 TRP 53 HE3 TRP 53 0.353 -11.464 -3.088 430 HZ2 TRP 53 HZ2 TRP 53 -2.132 -9.237 0.594 431 HZ3 TRP 53 HZ3 TRP 53 0.267 -12.500 -0.841 432 HH2 TRP 53 HH2 TRP 53 -0.971 -11.393 1.001 433 H LYS 54 HN LYS 54 2.421 -10.989 -5.340 434 HA LYS 54 HA LYS 54 3.753 -10.514 -7.819 435 HB2 LYS 54 HB2 LYS 54 4.407 -12.248 -6.132 436 HB3 LYS 54 HB1 LYS 54 2.991 -13.187 -6.605 437 HG2 LYS 54 HG2 LYS 54 3.832 -13.341 -8.905 438 HG3 LYS 54 HG1 LYS 54 5.229 -12.352 -8.473 439 HD2 LYS 54 HD2 LYS 54 5.927 -14.058 -6.828 440 HD3 LYS 54 HD1 LYS 54 4.541 -15.053 -7.274 441 HE2 LYS 54 HE2 LYS 54 6.555 -15.819 -8.455 442 HE3 LYS 54 HE1 LYS 54 5.384 -15.167 -9.601 443 HZ1 LYS 54 HZ1 LYS 54 7.642 -13.620 -8.454 444 HZ2 LYS 54 HZ2 LYS 54 6.578 -13.116 -9.679 445 HZ3 LYS 54 HZ3 LYS 54 7.679 -14.378 -9.970 446 H ASN 55 HN ASN 55 0.600 -11.862 -7.044 447 HA ASN 55 HA ASN 55 0.016 -13.037 -9.574 448 HB2 ASN 55 HB2 ASN 55 -1.918 -11.719 -7.644 449 HB3 ASN 55 HB1 ASN 55 -2.324 -12.910 -8.882 450 HD21 ASN 55 HD21 ASN 55 -1.992 -12.768 -5.642 451 HD22 ASN 55 HD22 ASN 55 -1.342 -14.304 -5.325 452 H ALA 56 HN ALA 56 0.509 -9.781 -8.764 453 HA ALA 56 HA ALA 56 -1.326 -8.676 -10.779 454 HB1 ALA 56 HB1 ALA 56 -0.529 -6.544 -10.086 455 HB2 ALA 56 HB2 ALA 56 0.971 -7.225 -9.451 456 HB3 ALA 56 HB3 ALA 56 -0.552 -7.511 -8.613 457 H GLU 57 HN GLU 57 1.919 -9.865 -10.614 458 HA GLU 57 HA GLU 57 3.665 -9.908 -12.184 459 HB2 GLU 57 HB2 GLU 57 1.214 -10.008 -13.962 460 HB3 GLU 57 HB1 GLU 57 2.856 -10.311 -14.535 461 HG2 GLU 57 HG2 GLU 57 3.106 -12.150 -12.941 462 HG3 GLU 57 HG1 GLU 57 1.496 -11.832 -12.294 463 H LEU 58 HN LEU 58 3.336 -7.352 -11.282 464 HA LEU 58 HA LEU 58 3.282 -5.632 -13.712 465 HB2 LEU 58 HB2 LEU 58 3.286 -4.797 -10.810 466 HB3 LEU 58 HB1 LEU 58 3.017 -3.747 -12.202 467 HG LEU 58 HG LEU 58 1.275 -6.115 -11.475 468 HD11 LEU 58 HD11 LEU 58 0.933 -4.474 -9.780 469 HD12 LEU 58 HD12 LEU 58 -0.383 -4.239 -10.929 470 HD13 LEU 58 HD13 LEU 58 1.005 -3.152 -10.943 471 HD21 LEU 58 HD21 LEU 58 -0.294 -4.799 -13.093 472 HD22 LEU 58 HD22 LEU 58 1.001 -5.764 -13.791 473 HD23 LEU 58 HD23 LEU 58 1.188 -4.016 -13.643 474 HA PRO 59 HA PRO 59 7.704 -5.121 -13.815 475 HB2 PRO 59 HB2 PRO 59 7.286 -2.157 -13.893 476 HB3 PRO 59 HB1 PRO 59 8.175 -3.200 -15.019 477 HG2 PRO 59 HG2 PRO 59 5.766 -2.169 -15.617 478 HG3 PRO 59 HG1 PRO 59 6.290 -3.758 -16.199 479 HD2 PRO 59 HD2 PRO 59 4.299 -3.102 -14.071 480 HD3 PRO 59 HD1 PRO 59 4.401 -4.509 -15.152 481 H LEU 60 HN LEU 60 9.418 -4.697 -12.378 482 HA LEU 60 HA LEU 60 8.751 -4.173 -9.623 483 HB2 LEU 60 HB2 LEU 60 11.480 -4.182 -10.944 484 HB3 LEU 60 HB1 LEU 60 11.144 -4.412 -9.228 485 HG LEU 60 HG LEU 60 10.199 -6.230 -11.464 486 HD11 LEU 60 HD11 LEU 60 11.774 -7.849 -10.257 487 HD12 LEU 60 HD12 LEU 60 12.435 -6.431 -9.441 488 HD13 LEU 60 HD13 LEU 60 12.538 -6.567 -11.196 489 HD21 LEU 60 HD21 LEU 60 9.730 -6.174 -8.484 490 HD22 LEU 60 HD22 LEU 60 9.739 -7.715 -9.343 491 HD23 LEU 60 HD23 LEU 60 8.576 -6.469 -9.783 492 H LEU 61 HN LEU 61 9.093 -2.345 -8.390 493 HA LEU 61 HA LEU 61 9.245 0.201 -9.830 494 HB2 LEU 61 HB2 LEU 61 8.840 -0.588 -6.940 495 HB3 LEU 61 HB1 LEU 61 9.028 1.098 -7.425 496 HG LEU 61 HG LEU 61 7.126 0.842 -8.997 497 HD11 LEU 61 HD11 LEU 61 5.697 -1.298 -8.507 498 HD12 LEU 61 HD12 LEU 61 7.213 -1.978 -7.926 499 HD13 LEU 61 HD13 LEU 61 7.074 -1.430 -9.596 500 HD21 LEU 61 HD21 LEU 61 6.773 1.627 -6.661 501 HD22 LEU 61 HD22 LEU 61 6.479 -0.039 -6.164 502 HD23 LEU 61 HD23 LEU 61 5.372 0.755 -7.283 503 H GLU 62 HN GLU 62 10.942 1.684 -9.697 504 HA GLU 62 HA GLU 62 13.541 0.589 -8.772 505 HB2 GLU 62 HB2 GLU 62 12.768 2.982 -10.459 506 HB3 GLU 62 HB1 GLU 62 14.432 2.650 -9.969 507 HG2 GLU 62 HG2 GLU 62 12.683 0.669 -11.455 508 HG3 GLU 62 HG1 GLU 62 13.834 1.744 -12.247 509 H GLN 63 HN GLN 63 14.555 1.319 -6.968 510 HA GLN 63 HA GLN 63 13.170 3.016 -5.115 511 HB2 GLN 63 HB2 GLN 63 14.770 1.199 -4.487 512 HB3 GLN 63 HB1 GLN 63 16.085 2.214 -5.080 513 HG2 GLN 63 HG2 GLN 63 15.510 3.958 -3.478 514 HG3 GLN 63 HG1 GLN 63 14.122 3.027 -2.920 515 HE21 GLN 63 HE21 GLN 63 16.156 3.764 -1.088 516 HE22 GLN 63 HE22 GLN 63 16.997 2.370 -0.609 517 H GLY 64 HN GLY 64 13.448 5.200 -4.637 518 HA2 GLY 64 HA2 GLY 64 14.471 7.334 -4.707 519 HA3 GLY 64 HA1 GLY 64 15.712 6.685 -5.779 520 H GLU 65 HN GLU 65 13.164 5.530 -7.271 521 HA GLU 65 HA GLU 65 12.959 7.877 -9.082 522 HB2 GLU 65 HB2 GLU 65 12.146 4.976 -9.408 523 HB3 GLU 65 HB1 GLU 65 11.917 6.215 -10.641 524 HG2 GLU 65 HG2 GLU 65 14.599 5.495 -9.422 525 HG3 GLU 65 HG1 GLU 65 14.015 4.884 -10.969 526 H SER 66 HN SER 66 10.899 8.489 -9.949 527 HA SER 66 HA SER 66 8.785 8.541 -7.900 528 HB2 SER 66 HB2 SER 66 7.681 10.073 -9.633 529 HB3 SER 66 HB1 SER 66 9.185 10.649 -8.916 530 HG SER 66 HG SER 66 10.183 9.528 -10.808 531 H TYR 67 HN TYR 67 6.707 7.702 -8.190 532 HA TYR 67 HA TYR 67 6.158 6.150 -10.669 533 HB2 TYR 67 HB2 TYR 67 6.368 5.044 -7.869 534 HB3 TYR 67 HB1 TYR 67 5.231 4.319 -9.005 535 HD1 TYR 67 HD1 TYR 67 6.087 3.517 -11.258 536 HD2 TYR 67 HD2 TYR 67 8.693 4.569 -8.011 537 HE1 TYR 67 HE1 TYR 67 7.932 2.255 -12.331 538 HE2 TYR 67 HE2 TYR 67 10.537 3.310 -9.084 539 HH TYR 67 HH TYR 67 10.507 2.353 -12.257 540 H LEU 68 HN LEU 68 4.018 5.859 -11.080 541 HA LEU 68 HA LEU 68 2.118 7.549 -9.495 542 HB2 LEU 68 HB2 LEU 68 2.343 8.266 -11.826 543 HB3 LEU 68 HB1 LEU 68 2.023 6.630 -12.378 544 HG LEU 68 HG LEU 68 -0.230 6.698 -11.533 545 HD11 LEU 68 HD11 LEU 68 -1.021 9.018 -10.599 546 HD12 LEU 68 HD12 LEU 68 0.687 9.256 -10.238 547 HD13 LEU 68 HD13 LEU 68 -0.183 7.902 -9.521 548 HD21 LEU 68 HD21 LEU 68 0.609 9.132 -13.115 549 HD22 LEU 68 HD22 LEU 68 -1.083 8.760 -12.802 550 HD23 LEU 68 HD23 LEU 68 -0.089 7.627 -13.716 551 H LEU 69 HN LEU 69 0.433 6.525 -8.475 552 HA LEU 69 HA LEU 69 -0.011 3.616 -9.077 553 HB2 LEU 69 HB2 LEU 69 -0.527 5.092 -6.483 554 HB3 LEU 69 HB1 LEU 69 -0.574 3.351 -6.748 555 HG LEU 69 HG LEU 69 1.891 5.086 -7.049 556 HD11 LEU 69 HD11 LEU 69 2.626 3.791 -5.006 557 HD12 LEU 69 HD12 LEU 69 0.965 3.214 -4.859 558 HD13 LEU 69 HD13 LEU 69 1.316 4.937 -4.722 559 HD21 LEU 69 HD21 LEU 69 2.192 3.234 -8.489 560 HD22 LEU 69 HD22 LEU 69 1.340 2.135 -7.404 561 HD23 LEU 69 HD23 LEU 69 2.954 2.710 -6.989 562 H ARG 70 HN ARG 70 -1.836 3.469 -10.256 563 HA ARG 70 HA ARG 70 -4.187 5.189 -9.519 564 HB2 ARG 70 HB2 ARG 70 -3.300 4.050 -12.170 565 HB3 ARG 70 HB1 ARG 70 -4.952 4.608 -11.906 566 HG2 ARG 70 HG2 ARG 70 -4.130 6.825 -11.281 567 HG3 ARG 70 HG1 ARG 70 -2.469 6.277 -11.467 568 HD2 ARG 70 HD2 ARG 70 -2.821 5.867 -13.845 569 HD3 ARG 70 HD1 ARG 70 -4.528 6.283 -13.688 570 HE ARG 70 HE ARG 70 -3.073 8.506 -12.747 571 HH11 ARG 70 HH21 ARG 70 -3.472 6.648 -15.626 572 HH12 ARG 70 HH22 ARG 70 -3.159 7.982 -16.686 573 HH21 ARG 70 HH11 ARG 70 -2.666 10.254 -14.114 574 HH22 ARG 70 HH12 ARG 70 -2.703 10.024 -15.830 575 H SER 71 HN SER 71 -6.251 4.225 -9.525 576 HA SER 71 HA SER 71 -7.742 2.551 -8.885 577 HB2 SER 71 HB2 SER 71 -7.447 0.402 -10.294 578 HB3 SER 71 HB1 SER 71 -7.767 1.907 -11.150 579 HG SER 71 HG SER 71 -5.160 0.929 -10.620 580 H VAL 72 HN VAL 72 -6.017 2.742 -6.883 581 HA VAL 72 HA VAL 72 -5.090 -0.059 -6.297 582 HB VAL 72 HB VAL 72 -3.721 1.148 -4.473 583 HG11 VAL 72 HG11 VAL 72 -1.910 1.606 -6.037 584 HG12 VAL 72 HG12 VAL 72 -3.053 1.720 -7.374 585 HG13 VAL 72 HG13 VAL 72 -2.785 0.173 -6.570 586 HG21 VAL 72 HG21 VAL 72 -4.339 3.499 -6.292 587 HG22 VAL 72 HG22 VAL 72 -3.212 3.509 -4.935 588 HG23 VAL 72 HG23 VAL 72 -4.940 3.306 -4.645 589 H VAL 73 HN VAL 73 -5.267 -0.596 -3.930 590 HA VAL 73 HA VAL 73 -7.757 0.586 -2.727 591 HB VAL 73 HB VAL 73 -8.359 -1.562 -3.634 592 HG11 VAL 73 HG11 VAL 73 -7.106 -3.608 -3.093 593 HG12 VAL 73 HG12 VAL 73 -5.946 -2.660 -2.164 594 HG13 VAL 73 HG13 VAL 73 -6.066 -2.441 -3.909 595 HG21 VAL 73 HG21 VAL 73 -7.762 -2.087 -0.714 596 HG22 VAL 73 HG22 VAL 73 -9.128 -2.670 -1.666 597 HG23 VAL 73 HG23 VAL 73 -9.021 -0.964 -1.230 598 H VAL 74 HN VAL 74 -7.828 0.573 -0.446 599 HA VAL 74 HA VAL 74 -5.148 0.701 0.821 600 HB VAL 74 HB VAL 74 -7.876 1.514 1.860 601 HG11 VAL 74 HG11 VAL 74 -6.502 2.781 3.532 602 HG12 VAL 74 HG12 VAL 74 -5.067 1.967 2.912 603 HG13 VAL 74 HG13 VAL 74 -6.342 1.032 3.691 604 HG21 VAL 74 HG21 VAL 74 -7.128 3.793 1.343 605 HG22 VAL 74 HG22 VAL 74 -7.072 2.804 -0.116 606 HG23 VAL 74 HG23 VAL 74 -5.585 3.172 0.757 607 H GLY 75 HN GLY 75 -4.432 -0.843 2.251 608 HA2 GLY 75 HA2 GLY 75 -6.325 -3.039 2.976 609 HA3 GLY 75 HA1 GLY 75 -4.567 -3.167 2.948 610 H GLU 76 HN GLU 76 -6.503 -3.688 5.166 611 HA GLU 76 HA GLU 76 -5.737 -1.592 7.145 612 HB2 GLU 76 HB2 GLU 76 -8.103 -2.377 7.042 613 HB3 GLU 76 HB1 GLU 76 -7.555 -4.004 7.440 614 HG2 GLU 76 HG2 GLU 76 -6.646 -3.207 9.572 615 HG3 GLU 76 HG1 GLU 76 -7.123 -1.555 9.174 616 H TYR 77 HN TYR 77 -3.695 -1.981 7.920 617 HA TYR 77 HA TYR 77 -2.919 -4.809 8.563 618 HB2 TYR 77 HB2 TYR 77 -1.434 -3.556 7.010 619 HB3 TYR 77 HB1 TYR 77 -1.184 -2.337 8.259 620 HD1 TYR 77 HD1 TYR 77 -0.789 -5.972 7.517 621 HD2 TYR 77 HD2 TYR 77 0.429 -2.659 9.965 622 HE1 TYR 77 HE1 TYR 77 1.011 -7.362 8.502 623 HE2 TYR 77 HE2 TYR 77 2.228 -4.050 10.951 624 HH TYR 77 HH TYR 77 3.578 -6.153 10.136 625 H ASN 78 HN ASN 78 -3.436 -5.235 10.646 626 HA ASN 78 HA ASN 78 -3.849 -4.871 12.941 627 HB2 ASN 78 HB2 ASN 78 -1.467 -5.448 12.858 628 HB3 ASN 78 HB1 ASN 78 -1.052 -3.751 12.613 629 HD21 ASN 78 HD21 ASN 78 -2.753 -5.891 14.962 630 HD22 ASN 78 HD22 ASN 78 -2.361 -4.955 16.324 631 H ASP 79 HN ASP 79 -1.842 -2.327 13.677 632 HA ASP 79 HA ASP 79 -4.159 -0.504 13.987 633 HB2 ASP 79 HB2 ASP 79 -1.328 -0.485 15.051 634 HB3 ASP 79 HB1 ASP 79 -2.450 0.853 15.299 635 H ARG 80 HN ARG 80 -1.367 -0.897 11.975 636 HA ARG 80 HA ARG 80 -1.455 1.940 11.086 637 HB2 ARG 80 HB2 ARG 80 0.403 -0.336 10.313 638 HB3 ARG 80 HB1 ARG 80 0.538 1.325 9.744 639 HG2 ARG 80 HG2 ARG 80 1.988 1.467 11.538 640 HG3 ARG 80 HG1 ARG 80 0.492 1.839 12.390 641 HD2 ARG 80 HD2 ARG 80 0.271 -0.563 12.999 642 HD3 ARG 80 HD1 ARG 80 1.798 -0.894 12.187 643 HE ARG 80 HE ARG 80 1.469 0.486 14.768 644 HH11 ARG 80 HH21 ARG 80 3.451 -0.262 12.042 645 HH12 ARG 80 HH22 ARG 80 4.937 0.051 12.873 646 HH21 ARG 80 HH11 ARG 80 3.394 0.904 15.860 647 HH22 ARG 80 HH12 ARG 80 4.905 0.715 15.035 648 H PHE 81 HN PHE 81 -1.510 2.367 8.754 649 HA PHE 81 HA PHE 81 -3.330 0.471 7.303 650 HB2 PHE 81 HB2 PHE 81 -2.997 3.480 7.113 651 HB3 PHE 81 HB1 PHE 81 -4.007 2.526 6.025 652 HD1 PHE 81 HD2 PHE 81 -5.951 1.242 6.930 653 HD2 PHE 81 HD1 PHE 81 -3.705 3.988 9.352 654 HE1 PHE 81 HE2 PHE 81 -7.790 1.278 8.593 655 HE2 PHE 81 HE1 PHE 81 -5.545 4.023 11.016 656 HZ PHE 81 HZ PHE 81 -7.588 2.669 10.635 657 H GLN 82 HN GLN 82 -2.912 0.185 5.020 658 HA GLN 82 HA GLN 82 -0.372 1.248 3.943 659 HB2 GLN 82 HB2 GLN 82 0.449 -1.018 3.362 660 HB3 GLN 82 HB1 GLN 82 0.330 -0.801 5.108 661 HG2 GLN 82 HG2 GLN 82 -1.854 -1.954 5.105 662 HG3 GLN 82 HG1 GLN 82 -1.731 -2.179 3.359 663 HE21 GLN 82 HE21 GLN 82 -1.317 -4.394 3.114 664 HE22 GLN 82 HE22 GLN 82 -0.075 -5.231 3.913 665 H VAL 83 HN VAL 83 -0.182 0.738 1.596 666 HA VAL 83 HA VAL 83 -2.892 0.512 0.349 667 HB VAL 83 HB VAL 83 -0.381 1.389 -1.082 668 HG11 VAL 83 HG11 VAL 83 -2.617 0.903 -2.240 669 HG12 VAL 83 HG12 VAL 83 -1.907 2.490 -2.544 670 HG13 VAL 83 HG13 VAL 83 -3.240 2.325 -1.402 671 HG21 VAL 83 HG21 VAL 83 -1.064 3.738 -0.460 672 HG22 VAL 83 HG22 VAL 83 -0.424 2.790 0.882 673 HG23 VAL 83 HG23 VAL 83 -2.164 3.039 0.731 674 H GLN 84 HN GLN 84 -3.367 -1.307 -0.773 675 HA GLN 84 HA GLN 84 -1.146 -3.227 -1.387 676 HB2 GLN 84 HB2 GLN 84 -4.133 -3.642 -1.066 677 HB3 GLN 84 HB1 GLN 84 -2.990 -4.907 -1.519 678 HG2 GLN 84 HG2 GLN 84 -1.772 -4.595 0.580 679 HG3 GLN 84 HG1 GLN 84 -2.848 -3.272 1.027 680 HE21 GLN 84 HE21 GLN 84 -5.305 -3.967 0.986 681 HE22 GLN 84 HE22 GLN 84 -5.650 -5.495 1.638 682 H VAL 85 HN VAL 85 -0.597 -3.421 -3.489 683 HA VAL 85 HA VAL 85 -2.423 -2.338 -5.580 684 HB VAL 85 HB VAL 85 0.449 -3.260 -5.838 685 HG11 VAL 85 HG11 VAL 85 -0.891 -3.145 -7.926 686 HG12 VAL 85 HG12 VAL 85 0.395 -1.940 -7.897 687 HG13 VAL 85 HG13 VAL 85 -1.267 -1.462 -7.565 688 HG21 VAL 85 HG21 VAL 85 0.417 -1.443 -4.250 689 HG22 VAL 85 HG22 VAL 85 -0.732 -0.536 -5.234 690 HG23 VAL 85 HG23 VAL 85 0.922 -0.769 -5.801 691 H ASN 86 HN ASN 86 -3.433 -3.720 -7.020 692 HA ASN 86 HA ASN 86 -2.639 -6.618 -6.962 693 HB2 ASN 86 HB2 ASN 86 -5.386 -5.353 -7.132 694 HB3 ASN 86 HB1 ASN 86 -5.071 -7.061 -7.439 695 HD21 ASN 86 HD21 ASN 86 -6.044 -4.979 -5.023 696 HD22 ASN 86 HD22 ASN 86 -5.562 -5.885 -3.671 697 H LYS 87 HN LYS 87 -4.154 -7.535 -8.993 698 HA LYS 87 HA LYS 87 -2.726 -6.682 -11.331 699 HB2 LYS 87 HB2 LYS 87 -3.717 -8.973 -10.918 700 HB3 LYS 87 HB1 LYS 87 -5.303 -8.269 -11.208 701 HG2 LYS 87 HG2 LYS 87 -4.759 -9.101 -13.324 702 HG3 LYS 87 HG1 LYS 87 -4.240 -7.423 -13.458 703 HD2 LYS 87 HD2 LYS 87 -1.925 -8.067 -12.974 704 HD3 LYS 87 HD1 LYS 87 -2.423 -9.737 -12.711 705 HE2 LYS 87 HE2 LYS 87 -2.863 -8.264 -15.319 706 HE3 LYS 87 HE1 LYS 87 -1.454 -9.279 -15.003 707 HZ1 LYS 87 HZ1 LYS 87 -4.301 -10.097 -15.062 708 HZ2 LYS 87 HZ2 LYS 87 -3.069 -11.084 -14.436 709 HZ3 LYS 87 HZ3 LYS 87 -3.046 -10.629 -16.072 710 H ASN 88 HN ASN 88 -5.994 -6.001 -10.119 711 HA ASN 88 HA ASN 88 -6.914 -4.618 -12.461 712 HB2 ASN 88 HB2 ASN 88 -8.353 -5.480 -10.567 713 HB3 ASN 88 HB1 ASN 88 -7.776 -4.123 -9.601 714 HD21 ASN 88 HD21 ASN 88 -9.740 -2.920 -9.510 715 HD22 ASN 88 HD22 ASN 88 -10.496 -2.273 -10.886 716 H SER 89 HN SER 89 -4.596 -3.768 -10.130 717 HA SER 89 HA SER 89 -5.017 -0.855 -10.392 718 HB2 SER 89 HB2 SER 89 -4.256 -1.705 -8.233 719 HB3 SER 89 HB1 SER 89 -2.856 -2.456 -8.994 720 HG SER 89 HG SER 89 -2.327 -0.273 -9.724 721 H SER 90 HN SER 90 -3.068 0.499 -11.068 722 HA SER 90 HA SER 90 -1.401 -0.842 -13.160 723 HB2 SER 90 HB2 SER 90 -3.065 1.672 -13.442 724 HB3 SER 90 HB1 SER 90 -1.763 1.254 -14.553 725 HG SER 90 HG SER 90 -3.974 -0.412 -13.912 726 H ILE 91 HN ILE 91 0.616 0.361 -13.597 727 HA ILE 91 HA ILE 91 1.278 2.496 -11.633 728 HB ILE 91 HB ILE 91 2.903 -0.020 -12.110 729 HG12 ILE 91 HG12 ILE 91 1.749 1.098 -9.537 730 HG13 ILE 91 HG11 ILE 91 0.955 -0.146 -10.497 731 HG21 ILE 91 HG21 ILE 91 4.452 1.794 -11.969 732 HG22 ILE 91 HG22 ILE 91 4.417 1.069 -10.363 733 HG23 ILE 91 HG23 ILE 91 3.539 2.566 -10.673 734 HD11 ILE 91 HD11 ILE 91 2.413 -0.969 -8.565 735 HD12 ILE 91 HD12 ILE 91 3.793 -0.454 -9.530 736 HD13 ILE 91 HD13 ILE 91 2.711 -1.703 -10.140 737 H GLU 92 HN GLU 92 2.373 4.141 -12.658 738 HA GLU 92 HA GLU 92 3.725 3.514 -15.275 739 HB2 GLU 92 HB2 GLU 92 2.164 6.031 -14.600 740 HB3 GLU 92 HB1 GLU 92 2.949 5.663 -16.134 741 HG2 GLU 92 HG2 GLU 92 1.480 3.687 -16.396 742 HG3 GLU 92 HG1 GLU 92 0.677 4.107 -14.881 743 H LYS 93 HN LYS 93 5.814 4.126 -15.281 744 HA LYS 93 HA LYS 93 6.982 5.467 -12.979 745 HB2 LYS 93 HB2 LYS 93 8.177 3.719 -14.290 746 HB3 LYS 93 HB1 LYS 93 8.223 4.817 -15.669 747 HG2 LYS 93 HG2 LYS 93 9.521 6.438 -14.363 748 HG3 LYS 93 HG1 LYS 93 9.442 5.382 -12.950 749 HD2 LYS 93 HD2 LYS 93 10.634 3.618 -14.206 750 HD3 LYS 93 HD1 LYS 93 10.729 4.685 -15.607 751 HE2 LYS 93 HE2 LYS 93 12.033 6.310 -14.290 752 HE3 LYS 93 HE1 LYS 93 11.931 5.254 -12.881 753 HZ1 LYS 93 HZ1 LYS 93 12.964 3.507 -14.388 754 HZ2 LYS 93 HZ2 LYS 93 13.977 4.759 -13.844 755 HZ3 LYS 93 HZ3 LYS 93 13.359 4.788 -15.427 756 H LEU 94 HN LEU 94 7.720 7.609 -12.849 757 HA LEU 94 HA LEU 94 6.819 9.418 -15.071 758 HB2 LEU 94 HB2 LEU 94 7.409 10.075 -12.175 759 HB3 LEU 94 HB1 LEU 94 6.743 11.175 -13.381 760 HG LEU 94 HG LEU 94 5.437 8.601 -12.449 761 HD11 LEU 94 HD11 LEU 94 4.599 11.461 -11.916 762 HD12 LEU 94 HD12 LEU 94 5.530 10.492 -10.773 763 HD13 LEU 94 HD13 LEU 94 3.901 9.994 -11.232 764 HD21 LEU 94 HD21 LEU 94 4.717 10.696 -14.501 765 HD22 LEU 94 HD22 LEU 94 3.439 9.819 -13.659 766 HD23 LEU 94 HD23 LEU 94 4.618 8.941 -14.626 767 H SER 95 HN SER 95 8.238 10.840 -15.981 768 HA SER 95 HA SER 95 11.107 10.294 -15.560 769 HB2 SER 95 HB2 SER 95 11.427 11.683 -17.548 770 HB3 SER 95 HB1 SER 95 10.166 10.492 -17.859 771 HG SER 95 HG SER 95 9.380 12.923 -16.758 772 H GLU 96 HN GLU 96 8.939 12.208 -14.012 773 HA GLU 96 HA GLU 96 10.789 14.534 -13.782 774 HB2 GLU 96 HB2 GLU 96 7.863 14.189 -13.137 775 HB3 GLU 96 HB1 GLU 96 8.788 15.593 -12.601 776 HG2 GLU 96 HG2 GLU 96 7.718 16.155 -14.703 777 HG3 GLU 96 HG1 GLU 96 9.448 15.984 -15.000 778 HA PRO 97 HA PRO 97 11.813 12.837 -9.736 779 HB2 PRO 97 HB2 PRO 97 13.330 14.881 -8.766 780 HB3 PRO 97 HB1 PRO 97 13.908 13.795 -10.046 781 HG2 PRO 97 HG2 PRO 97 12.775 16.550 -10.275 782 HG3 PRO 97 HG1 PRO 97 14.154 15.825 -11.122 783 HD2 PRO 97 HD2 PRO 97 11.656 16.065 -12.254 784 HD3 PRO 97 HD1 PRO 97 12.815 14.792 -12.705 785 H ILE 98 HN ILE 98 11.079 13.043 -7.584 786 HA ILE 98 HA ILE 98 9.147 15.279 -7.059 787 HB ILE 98 HB ILE 98 9.210 12.442 -6.000 788 HG12 ILE 98 HG12 ILE 98 7.149 13.876 -7.696 789 HG13 ILE 98 HG11 ILE 98 8.412 12.842 -8.365 790 HG21 ILE 98 HG21 ILE 98 8.415 13.849 -4.227 791 HG22 ILE 98 HG22 ILE 98 6.982 13.161 -4.991 792 HG23 ILE 98 HG23 ILE 98 7.458 14.821 -5.344 793 HD11 ILE 98 HD11 ILE 98 7.563 10.997 -6.853 794 HD12 ILE 98 HD12 ILE 98 6.447 11.481 -8.130 795 HD13 ILE 98 HD13 ILE 98 6.188 12.038 -6.477 796 H GLU 99 HN GLU 99 9.533 16.546 -5.288 797 HA GLU 99 HA GLU 99 12.043 16.067 -3.801 798 HB2 GLU 99 HB2 GLU 99 10.063 18.364 -3.831 799 HB3 GLU 99 HB1 GLU 99 11.491 18.322 -2.801 800 HG2 GLU 99 HG2 GLU 99 12.253 19.509 -4.674 801 HG3 GLU 99 HG1 GLU 99 12.796 17.871 -5.025 802 H VAL 100 HN VAL 100 12.020 14.981 -1.933 803 HA VAL 100 HA VAL 100 9.468 14.586 -0.473 804 HB VAL 100 HB VAL 100 12.219 13.496 0.190 805 HG11 VAL 100 HG11 VAL 100 10.408 13.346 1.919 806 HG12 VAL 100 HG12 VAL 100 10.974 11.772 1.361 807 HG13 VAL 100 HG13 VAL 100 9.444 12.419 0.768 808 HG21 VAL 100 HG21 VAL 100 11.544 11.489 -1.097 809 HG22 VAL 100 HG22 VAL 100 11.656 12.912 -2.132 810 HG23 VAL 100 HG23 VAL 100 10.077 12.322 -1.611 811 H GLY 101 HN GLY 101 9.387 16.883 0.165 812 HA2 GLY 101 HA2 GLY 101 9.643 17.728 2.617 813 HA3 GLY 101 HA1 GLY 101 11.372 17.669 2.266 814 H LEU 102 HN LEU 102 8.357 19.291 1.500 815 HA LEU 102 HA LEU 102 7.914 21.271 0.315 816 HB2 LEU 102 HB2 LEU 102 10.407 21.819 1.921 817 HB3 LEU 102 HB1 LEU 102 9.668 23.085 0.944 818 HG LEU 102 HG LEU 102 8.900 23.062 3.340 819 HD11 LEU 102 HD11 LEU 102 7.449 23.696 1.157 820 HD12 LEU 102 HD12 LEU 102 6.784 23.767 2.784 821 HD13 LEU 102 HD13 LEU 102 6.451 22.372 1.762 822 HD21 LEU 102 HD21 LEU 102 7.588 21.272 4.194 823 HD22 LEU 102 HD22 LEU 102 8.967 20.497 3.415 824 HD23 LEU 102 HD23 LEU 102 7.403 20.539 2.600 825 H GLU 103 HN GLU 103 11.247 22.099 0.084 826 HA GLU 103 HA GLU 103 11.421 21.130 -2.731 827 HB2 GLU 103 HB2 GLU 103 11.710 24.016 -1.842 828 HB3 GLU 103 HB1 GLU 103 12.216 23.416 -3.421 829 HG2 GLU 103 HG2 GLU 103 9.912 22.685 -3.894 830 HG3 GLU 103 HG1 GLU 103 9.398 23.260 -2.308 831 H HIS 104 HN HIS 104 13.255 23.360 -0.622 832 HA HIS 104 HA HIS 104 15.503 23.317 0.028 833 HB2 HIS 104 HB2 HIS 104 14.669 21.058 0.951 834 HB3 HIS 104 HB1 HIS 104 15.432 20.331 -0.463 835 HD1 HIS 104 HD1 HIS 104 16.651 23.139 1.814 836 HD2 HIS 104 HD2 HIS 104 17.856 19.384 0.465 837 HE1 HIS 104 HE1 HIS 104 18.971 22.752 2.753 838 H HIS 105 HN HIS 105 15.520 20.582 -2.262 839 HA HIS 105 HA HIS 105 17.724 21.867 -3.747 840 HB2 HIS 105 HB2 HIS 105 16.310 19.206 -4.091 841 HB3 HIS 105 HB1 HIS 105 17.693 19.735 -5.051 842 HD1 HIS 105 HD1 HIS 105 19.869 20.446 -3.491 843 HD2 HIS 105 HD2 HIS 105 17.060 17.879 -1.790 844 HE1 HIS 105 HE1 HIS 105 21.018 19.323 -1.534 845 H HIS 106 HN HIS 106 17.307 23.161 -5.486 846 HA HIS 106 HA HIS 106 14.597 23.039 -6.742 847 HB2 HIS 106 HB2 HIS 106 16.781 25.140 -6.818 848 HB3 HIS 106 HB1 HIS 106 15.286 25.237 -7.751 849 HD1 HIS 106 HD1 HIS 106 16.600 25.399 -4.232 850 HD2 HIS 106 HD2 HIS 106 12.950 25.773 -6.213 851 HE1 HIS 106 HE1 HIS 106 14.956 26.320 -2.539 852 H HIS 107 HN HIS 107 14.363 22.248 -8.755 853 HA HIS 107 HA HIS 107 16.436 20.858 -10.109 854 HB2 HIS 107 HB2 HIS 107 14.850 20.723 -11.983 855 HB3 HIS 107 HB1 HIS 107 14.015 20.440 -10.455 856 HD1 HIS 107 HD1 HIS 107 12.764 22.618 -9.421 857 HD2 HIS 107 HD2 HIS 107 13.824 22.857 -13.447 858 HE1 HIS 107 HE1 HIS 107 11.416 24.523 -10.405 859 H HIS 108 HN HIS 108 15.085 24.111 -10.685 860 HA HIS 108 HA HIS 108 17.627 24.873 -12.002 861 HB2 HIS 108 HB2 HIS 108 16.134 24.019 -13.817 862 HB3 HIS 108 HB1 HIS 108 14.945 25.243 -13.370 863 HD1 HIS 108 HD1 HIS 108 15.462 27.697 -13.969 864 HD2 HIS 108 HD2 HIS 108 18.494 25.057 -15.072 865 HE1 HIS 108 HE1 HIS 108 17.043 29.003 -15.455 866 H HIS 109 HN HIS 109 17.850 27.201 -12.177 867 HA HIS 109 HA HIS 109 16.696 28.609 -9.933 868 HB2 HIS 109 HB2 HIS 109 18.976 29.048 -10.866 869 HB3 HIS 109 HB1 HIS 109 18.218 29.733 -12.302 870 HD1 HIS 109 HD1 HIS 109 17.856 32.190 -12.202 871 HD2 HIS 109 HD2 HIS 109 17.971 30.509 -8.389 872 HE1 HIS 109 HE1 HIS 109 17.654 34.113 -10.565 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -8.035 11.001 -19.274 2 H2 MET 1 HT2 MET 1 -8.622 12.527 -18.814 3 H3 MET 1 HT3 MET 1 -9.136 11.133 -17.992 4 HA MET 1 HA MET 1 -6.928 10.763 -17.133 5 HB2 MET 1 HB2 MET 1 -6.314 13.255 -18.748 6 HB3 MET 1 HB1 MET 1 -5.231 12.595 -17.521 7 HG2 MET 1 HG2 MET 1 -5.132 10.458 -18.740 8 HG3 MET 1 HG1 MET 1 -6.233 11.095 -19.960 9 HE1 MET 1 HE1 MET 1 -4.865 10.552 -21.805 10 HE2 MET 1 HE2 MET 1 -3.458 9.903 -20.965 11 HE3 MET 1 HE3 MET 1 -3.245 11.145 -22.198 12 H GLU 2 HN GLU 2 -8.474 11.106 -15.403 13 HA GLU 2 HA GLU 2 -7.925 13.504 -13.862 14 HB2 GLU 2 HB2 GLU 2 -9.730 14.216 -15.550 15 HB3 GLU 2 HB1 GLU 2 -10.813 13.124 -14.685 16 HG2 GLU 2 HG2 GLU 2 -10.193 14.347 -12.556 17 HG3 GLU 2 HG1 GLU 2 -9.357 15.531 -13.561 18 HA PRO 3 HA PRO 3 -9.424 9.548 -11.751 19 HB2 PRO 3 HB2 PRO 3 -7.057 8.817 -10.588 20 HB3 PRO 3 HB1 PRO 3 -7.526 8.310 -12.223 21 HG2 PRO 3 HG2 PRO 3 -5.688 10.509 -11.381 22 HG3 PRO 3 HG1 PRO 3 -5.517 9.341 -12.706 23 HD2 PRO 3 HD2 PRO 3 -6.369 11.918 -13.107 24 HD3 PRO 3 HD1 PRO 3 -6.874 10.565 -14.140 25 H GLN 4 HN GLN 4 -9.590 9.224 -9.393 26 HA GLN 4 HA GLN 4 -9.690 11.767 -7.969 27 HB2 GLN 4 HB2 GLN 4 -10.234 8.916 -7.081 28 HB3 GLN 4 HB1 GLN 4 -10.558 10.345 -6.099 29 HG2 GLN 4 HG2 GLN 4 -11.732 9.870 -8.853 30 HG3 GLN 4 HG1 GLN 4 -12.578 9.527 -7.344 31 HE21 GLN 4 HE21 GLN 4 -12.560 11.803 -9.678 32 HE22 GLN 4 HE22 GLN 4 -12.866 13.198 -8.760 33 H LEU 5 HN LEU 5 -7.887 12.624 -7.068 34 HA LEU 5 HA LEU 5 -5.625 10.876 -6.307 35 HB2 LEU 5 HB2 LEU 5 -5.892 13.893 -6.165 36 HB3 LEU 5 HB1 LEU 5 -4.398 12.966 -6.039 37 HG LEU 5 HG LEU 5 -6.212 13.051 -8.469 38 HD11 LEU 5 HD11 LEU 5 -4.404 14.342 -9.506 39 HD12 LEU 5 HD12 LEU 5 -3.469 14.261 -8.012 40 HD13 LEU 5 HD13 LEU 5 -4.983 15.164 -8.057 41 HD21 LEU 5 HD21 LEU 5 -3.684 11.544 -7.800 42 HD22 LEU 5 HD22 LEU 5 -4.041 11.973 -9.473 43 HD23 LEU 5 HD23 LEU 5 -5.156 10.954 -8.571 44 H THR 6 HN THR 6 -5.201 10.323 -4.239 45 HA THR 6 HA THR 6 -6.635 11.767 -2.028 46 HB THR 6 HB THR 6 -6.014 8.804 -2.209 47 HG1 THR 6 HG1 THR 6 -8.442 8.876 -2.116 48 HG21 THR 6 HG21 THR 6 -7.477 8.754 -0.153 49 HG22 THR 6 HG22 THR 6 -7.392 10.516 -0.127 50 HG23 THR 6 HG23 THR 6 -5.924 9.561 0.082 51 H LYS 7 HN LYS 7 -5.390 12.252 -0.232 52 HA LYS 7 HA LYS 7 -2.458 11.851 -0.531 53 HB2 LYS 7 HB2 LYS 7 -4.020 13.595 1.395 54 HB3 LYS 7 HB1 LYS 7 -2.279 13.636 1.129 55 HG2 LYS 7 HG2 LYS 7 -4.348 14.206 -1.014 56 HG3 LYS 7 HG1 LYS 7 -3.509 15.449 -0.088 57 HD2 LYS 7 HD2 LYS 7 -1.332 14.317 -0.906 58 HD3 LYS 7 HD1 LYS 7 -2.355 13.502 -2.088 59 HE2 LYS 7 HE2 LYS 7 -3.158 15.664 -2.923 60 HE3 LYS 7 HE1 LYS 7 -2.164 16.503 -1.731 61 HZ1 LYS 7 HZ1 LYS 7 -1.268 16.129 -4.117 62 HZ2 LYS 7 HZ2 LYS 7 -0.918 14.564 -3.554 63 HZ3 LYS 7 HZ3 LYS 7 -0.233 15.918 -2.790 64 H ILE 8 HN ILE 8 -1.214 11.025 1.184 65 HA ILE 8 HA ILE 8 -2.219 8.778 2.545 66 HB ILE 8 HB ILE 8 0.124 10.576 3.211 67 HG12 ILE 8 HG12 ILE 8 0.141 7.831 1.937 68 HG13 ILE 8 HG11 ILE 8 0.019 9.309 0.982 69 HG21 ILE 8 HG21 ILE 8 0.954 8.485 4.426 70 HG22 ILE 8 HG22 ILE 8 -0.706 7.897 4.342 71 HG23 ILE 8 HG23 ILE 8 -0.338 9.381 5.221 72 HD11 ILE 8 HD11 ILE 8 2.354 8.739 1.082 73 HD12 ILE 8 HD12 ILE 8 2.281 8.499 2.825 74 HD13 ILE 8 HD13 ILE 8 2.120 10.114 2.156 75 H VAL 9 HN VAL 9 -1.712 12.069 3.759 76 HA VAL 9 HA VAL 9 -2.669 11.583 6.417 77 HB VAL 9 HB VAL 9 -1.366 13.603 5.732 78 HG11 VAL 9 HG11 VAL 9 -2.702 13.859 3.572 79 HG12 VAL 9 HG12 VAL 9 -2.385 15.350 4.460 80 HG13 VAL 9 HG13 VAL 9 -3.973 14.587 4.554 81 HG21 VAL 9 HG21 VAL 9 -2.874 13.509 7.786 82 HG22 VAL 9 HG22 VAL 9 -4.086 14.364 6.832 83 HG23 VAL 9 HG23 VAL 9 -2.535 15.129 7.176 84 H ASP 10 HN ASP 10 -4.297 11.832 3.396 85 HA ASP 10 HA ASP 10 -6.906 12.511 4.639 86 HB2 ASP 10 HB2 ASP 10 -6.078 12.004 1.765 87 HB3 ASP 10 HB1 ASP 10 -7.727 12.380 2.265 88 H ILE 11 HN ILE 11 -5.098 9.772 4.420 89 HA ILE 11 HA ILE 11 -7.244 7.931 3.581 90 HB ILE 11 HB ILE 11 -4.444 7.478 4.642 91 HG12 ILE 11 HG12 ILE 11 -5.658 7.007 1.900 92 HG13 ILE 11 HG11 ILE 11 -4.687 8.408 2.333 93 HG21 ILE 11 HG21 ILE 11 -5.713 5.578 5.350 94 HG22 ILE 11 HG22 ILE 11 -4.885 5.081 3.879 95 HG23 ILE 11 HG23 ILE 11 -6.594 5.510 3.826 96 HD11 ILE 11 HD11 ILE 11 -2.909 6.647 3.086 97 HD12 ILE 11 HD12 ILE 11 -3.105 6.973 1.363 98 HD13 ILE 11 HD13 ILE 11 -3.833 5.537 2.075 99 H VAL 12 HN VAL 12 -8.774 7.270 4.995 100 HA VAL 12 HA VAL 12 -8.013 6.700 7.797 101 HB VAL 12 HB VAL 12 -9.964 7.983 8.677 102 HG11 VAL 12 HG11 VAL 12 -8.849 10.111 8.642 103 HG12 VAL 12 HG12 VAL 12 -8.083 9.751 7.094 104 HG13 VAL 12 HG13 VAL 12 -7.588 8.881 8.546 105 HG21 VAL 12 HG21 VAL 12 -10.034 9.149 5.875 106 HG22 VAL 12 HG22 VAL 12 -11.028 9.660 7.238 107 HG23 VAL 12 HG23 VAL 12 -11.245 8.054 6.542 108 H GLU 13 HN GLU 13 -9.361 5.652 5.060 109 HA GLU 13 HA GLU 13 -11.178 3.772 6.510 110 HB2 GLU 13 HB2 GLU 13 -12.569 5.525 5.419 111 HB3 GLU 13 HB1 GLU 13 -11.838 5.112 3.868 112 HG2 GLU 13 HG2 GLU 13 -12.702 2.831 4.028 113 HG3 GLU 13 HG1 GLU 13 -13.363 3.169 5.627 114 H ASN 14 HN ASN 14 -10.893 1.676 5.871 115 HA ASN 14 HA ASN 14 -8.823 1.151 3.809 116 HB2 ASN 14 HB2 ASN 14 -8.815 -1.134 4.708 117 HB3 ASN 14 HB1 ASN 14 -8.628 0.042 6.008 118 HD21 ASN 14 HD21 ASN 14 -9.500 -1.923 7.305 119 HD22 ASN 14 HD22 ASN 14 -11.186 -2.069 7.437 120 H GLY 15 HN GLY 15 -9.185 -0.533 2.180 121 HA2 GLY 15 HA2 GLY 15 -10.479 -1.691 0.589 122 HA3 GLY 15 HA1 GLY 15 -11.879 -1.487 1.643 123 H GLN 16 HN GLN 16 -10.071 1.349 0.840 124 HA GLN 16 HA GLN 16 -12.365 2.308 -0.811 125 HB2 GLN 16 HB2 GLN 16 -11.727 3.695 1.117 126 HB3 GLN 16 HB1 GLN 16 -10.086 3.832 0.485 127 HG2 GLN 16 HG2 GLN 16 -10.854 5.023 -1.464 128 HG3 GLN 16 HG1 GLN 16 -12.542 4.712 -1.053 129 HE21 GLN 16 HE21 GLN 16 -9.885 6.873 -0.548 130 HE22 GLN 16 HE22 GLN 16 -10.632 7.861 0.613 131 H TRP 17 HN TRP 17 -12.034 3.196 -2.864 132 HA TRP 17 HA TRP 17 -9.539 2.312 -4.231 133 HB2 TRP 17 HB2 TRP 17 -12.242 3.215 -5.268 134 HB3 TRP 17 HB1 TRP 17 -10.876 2.818 -6.310 135 HD1 TRP 17 HD1 TRP 17 -13.633 1.266 -4.303 136 HE1 TRP 17 HE1 TRP 17 -13.498 -1.303 -4.476 137 HE3 TRP 17 HE3 TRP 17 -9.067 0.770 -6.535 138 HZ2 TRP 17 HZ2 TRP 17 -11.692 -3.305 -5.436 139 HZ3 TRP 17 HZ3 TRP 17 -8.164 -1.475 -7.066 140 HH2 TRP 17 HH2 TRP 17 -9.469 -3.512 -6.520 141 H ALA 18 HN ALA 18 -8.028 3.787 -4.774 142 HA ALA 18 HA ALA 18 -8.743 6.505 -5.536 143 HB1 ALA 18 HB1 ALA 18 -7.323 6.008 -2.908 144 HB2 ALA 18 HB2 ALA 18 -8.818 6.907 -3.171 145 HB3 ALA 18 HB3 ALA 18 -7.283 7.557 -3.749 146 H ASN 19 HN ASN 19 -6.476 7.798 -5.624 147 HA ASN 19 HA ASN 19 -4.462 5.939 -6.876 148 HB2 ASN 19 HB2 ASN 19 -4.955 8.841 -7.585 149 HB3 ASN 19 HB1 ASN 19 -3.928 7.690 -8.443 150 HD21 ASN 19 HD21 ASN 19 -4.910 6.735 -10.207 151 HD22 ASN 19 HD22 ASN 19 -6.582 6.532 -10.409 152 H LEU 20 HN LEU 20 -2.260 6.337 -6.342 153 HA LEU 20 HA LEU 20 -1.737 8.541 -4.386 154 HB2 LEU 20 HB2 LEU 20 -2.011 6.437 -3.116 155 HB3 LEU 20 HB1 LEU 20 -0.806 5.660 -4.140 156 HG LEU 20 HG LEU 20 0.907 7.249 -3.366 157 HD11 LEU 20 HD11 LEU 20 -1.462 8.506 -2.011 158 HD12 LEU 20 HD12 LEU 20 -0.124 9.271 -2.869 159 HD13 LEU 20 HD13 LEU 20 0.123 8.632 -1.248 160 HD21 LEU 20 HD21 LEU 20 1.199 6.342 -1.178 161 HD22 LEU 20 HD22 LEU 20 0.322 5.115 -2.090 162 HD23 LEU 20 HD23 LEU 20 -0.539 6.146 -0.948 163 H LYS 21 HN LYS 21 -0.001 9.719 -4.975 164 HA LYS 21 HA LYS 21 1.984 8.528 -6.889 165 HB2 LYS 21 HB2 LYS 21 0.565 10.471 -7.705 166 HB3 LYS 21 HB1 LYS 21 1.356 11.456 -6.474 167 HG2 LYS 21 HG2 LYS 21 3.536 11.025 -7.453 168 HG3 LYS 21 HG1 LYS 21 2.835 9.885 -8.601 169 HD2 LYS 21 HD2 LYS 21 3.239 12.103 -9.632 170 HD3 LYS 21 HD1 LYS 21 1.533 11.679 -9.636 171 HE2 LYS 21 HE2 LYS 21 2.627 13.253 -7.322 172 HE3 LYS 21 HE1 LYS 21 2.289 14.074 -8.837 173 HZ1 LYS 21 HZ1 LYS 21 0.200 14.171 -8.145 174 HZ2 LYS 21 HZ2 LYS 21 0.467 13.055 -6.892 175 HZ3 LYS 21 HZ3 LYS 21 0.107 12.506 -8.459 176 H ALA 22 HN ALA 22 4.004 8.396 -6.150 177 HA ALA 22 HA ALA 22 5.121 10.279 -4.238 178 HB1 ALA 22 HB1 ALA 22 5.537 8.447 -2.469 179 HB2 ALA 22 HB2 ALA 22 4.233 7.568 -3.269 180 HB3 ALA 22 HB3 ALA 22 3.920 9.148 -2.552 181 H LYS 23 HN LYS 23 7.254 9.522 -3.439 182 HA LYS 23 HA LYS 23 8.713 8.177 -5.669 183 HB2 LYS 23 HB2 LYS 23 9.311 10.545 -4.725 184 HB3 LYS 23 HB1 LYS 23 10.076 9.644 -3.419 185 HG2 LYS 23 HG2 LYS 23 11.507 8.465 -5.001 186 HG3 LYS 23 HG1 LYS 23 10.665 9.195 -6.363 187 HD2 LYS 23 HD2 LYS 23 12.602 10.514 -6.156 188 HD3 LYS 23 HD1 LYS 23 11.367 11.466 -5.340 189 HE2 LYS 23 HE2 LYS 23 13.494 11.332 -4.041 190 HE3 LYS 23 HE1 LYS 23 12.128 10.655 -3.161 191 HZ1 LYS 23 HZ1 LYS 23 13.130 8.696 -3.093 192 HZ2 LYS 23 HZ2 LYS 23 14.508 9.401 -3.792 193 HZ3 LYS 23 HZ3 LYS 23 13.330 8.673 -4.777 194 H VAL 24 HN VAL 24 10.380 6.597 -5.191 195 HA VAL 24 HA VAL 24 9.662 4.959 -2.810 196 HB VAL 24 HB VAL 24 11.311 4.324 -5.266 197 HG11 VAL 24 HG11 VAL 24 11.026 1.957 -4.402 198 HG12 VAL 24 HG12 VAL 24 10.449 2.653 -2.889 199 HG13 VAL 24 HG13 VAL 24 12.098 2.964 -3.430 200 HG21 VAL 24 HG21 VAL 24 9.396 3.111 -6.013 201 HG22 VAL 24 HG22 VAL 24 8.787 4.678 -5.487 202 HG23 VAL 24 HG23 VAL 24 8.602 3.264 -4.449 203 H ILE 25 HN ILE 25 10.834 5.356 -1.050 204 HA ILE 25 HA ILE 25 13.695 6.193 -1.313 205 HB ILE 25 HB ILE 25 11.917 6.151 1.150 206 HG12 ILE 25 HG12 ILE 25 12.811 8.511 -0.534 207 HG13 ILE 25 HG11 ILE 25 11.220 7.759 -0.671 208 HG21 ILE 25 HG21 ILE 25 13.714 7.624 2.066 209 HG22 ILE 25 HG22 ILE 25 14.652 7.351 0.599 210 HG23 ILE 25 HG23 ILE 25 14.306 6.010 1.686 211 HD11 ILE 25 HD11 ILE 25 11.327 9.788 0.862 212 HD12 ILE 25 HD12 ILE 25 12.311 8.820 1.948 213 HD13 ILE 25 HD13 ILE 25 10.655 8.332 1.591 214 H GLN 26 HN GLN 26 11.689 3.511 -0.383 215 HA GLN 26 HA GLN 26 14.120 1.925 0.211 216 HB2 GLN 26 HB2 GLN 26 11.812 2.288 2.139 217 HB3 GLN 26 HB1 GLN 26 12.925 0.926 2.236 218 HG2 GLN 26 HG2 GLN 26 13.764 3.836 2.333 219 HG3 GLN 26 HG1 GLN 26 13.566 2.806 3.741 220 HE21 GLN 26 HE21 GLN 26 15.935 3.972 1.743 221 HE22 GLN 26 HE22 GLN 26 17.061 2.707 1.866 222 H LEU 27 HN LEU 27 13.964 -0.019 -0.719 223 HA LEU 27 HA LEU 27 11.266 -1.131 -1.389 224 HB2 LEU 27 HB2 LEU 27 12.025 -1.768 -3.565 225 HB3 LEU 27 HB1 LEU 27 12.485 -0.081 -3.366 226 HG LEU 27 HG LEU 27 14.322 -2.484 -3.007 227 HD11 LEU 27 HD11 LEU 27 13.820 -2.037 -5.344 228 HD12 LEU 27 HD12 LEU 27 15.470 -1.527 -4.993 229 HD13 LEU 27 HD13 LEU 27 14.186 -0.326 -5.129 230 HD21 LEU 27 HD21 LEU 27 16.041 -0.476 -2.998 231 HD22 LEU 27 HD22 LEU 27 15.214 -0.922 -1.512 232 HD23 LEU 27 HD23 LEU 27 14.649 0.457 -2.450 233 H TRP 28 HN TRP 28 11.234 -3.475 -1.585 234 HA TRP 28 HA TRP 28 13.627 -4.916 -0.588 235 HB2 TRP 28 HB2 TRP 28 10.926 -4.903 0.763 236 HB3 TRP 28 HB1 TRP 28 12.121 -6.168 1.037 237 HD1 TRP 28 HD1 TRP 28 11.150 -2.779 2.153 238 HE1 TRP 28 HE1 TRP 28 12.947 -1.789 3.713 239 HE3 TRP 28 HE3 TRP 28 14.931 -6.112 1.358 240 HZ2 TRP 28 HZ2 TRP 28 15.635 -2.342 4.518 241 HZ3 TRP 28 HZ3 TRP 28 17.098 -5.858 2.533 242 HH2 TRP 28 HH2 TRP 28 17.455 -3.979 4.111 243 H GLU 29 HN GLU 29 13.910 -6.306 -2.198 244 HA GLU 29 HA GLU 29 11.783 -7.291 -3.899 245 HB2 GLU 29 HB2 GLU 29 14.642 -8.236 -3.520 246 HB3 GLU 29 HB1 GLU 29 13.551 -8.868 -4.754 247 HG2 GLU 29 HG2 GLU 29 13.310 -6.649 -5.736 248 HG3 GLU 29 HG1 GLU 29 14.304 -5.948 -4.458 249 H ASN 30 HN ASN 30 10.293 -8.786 -3.272 250 HA ASN 30 HA ASN 30 11.011 -10.732 -1.114 251 HB2 ASN 30 HB2 ASN 30 8.972 -9.313 -0.816 252 HB3 ASN 30 HB1 ASN 30 8.294 -10.041 -2.270 253 HD21 ASN 30 HD21 ASN 30 8.298 -10.334 1.065 254 HD22 ASN 30 HD22 ASN 30 7.855 -11.968 1.191 255 H THR 31 HN THR 31 11.037 -12.922 -1.553 256 HA THR 31 HA THR 31 10.283 -13.800 -4.328 257 HB THR 31 HB THR 31 12.141 -15.395 -4.230 258 HG1 THR 31 HG1 THR 31 13.633 -14.993 -2.392 259 HG21 THR 31 HG21 THR 31 12.658 -13.217 -5.153 260 HG22 THR 31 HG22 THR 31 14.028 -13.737 -4.172 261 HG23 THR 31 HG23 THR 31 12.894 -12.543 -3.541 262 H HIS 32 HN HIS 32 9.247 -13.887 -1.296 263 HA HIS 32 HA HIS 32 8.899 -16.682 -0.729 264 HB2 HIS 32 HB2 HIS 32 8.600 -14.692 0.868 265 HB3 HIS 32 HB1 HIS 32 7.016 -14.472 0.127 266 HD1 HIS 32 HD1 HIS 32 8.704 -17.773 0.988 267 HD2 HIS 32 HD2 HIS 32 5.375 -15.530 2.112 268 HE1 HIS 32 HE1 HIS 32 7.366 -19.222 2.580 269 H GLU 33 HN GLU 33 7.840 -15.009 -3.321 270 HA GLU 33 HA GLU 33 6.298 -15.504 -4.996 271 HB2 GLU 33 HB2 GLU 33 6.837 -17.920 -4.172 272 HB3 GLU 33 HB1 GLU 33 5.269 -17.831 -3.369 273 HG2 GLU 33 HG2 GLU 33 4.848 -18.792 -5.513 274 HG3 GLU 33 HG1 GLU 33 4.299 -17.118 -5.612 275 H SER 34 HN SER 34 4.940 -16.001 -1.721 276 HA SER 34 HA SER 34 2.266 -15.287 -2.389 277 HB2 SER 34 HB2 SER 34 2.635 -16.262 -0.245 278 HB3 SER 34 HB1 SER 34 3.865 -15.072 0.169 279 HG SER 34 HG SER 34 1.188 -14.357 -0.408 280 H ILE 35 HN ILE 35 4.979 -13.290 -1.214 281 HA ILE 35 HA ILE 35 3.433 -10.833 -1.944 282 HB ILE 35 HB ILE 35 5.853 -11.178 -0.151 283 HG12 ILE 35 HG12 ILE 35 3.018 -10.366 0.547 284 HG13 ILE 35 HG11 ILE 35 3.603 -12.023 0.684 285 HG21 ILE 35 HG21 ILE 35 5.986 -9.014 -1.152 286 HG22 ILE 35 HG22 ILE 35 5.238 -8.760 0.424 287 HG23 ILE 35 HG23 ILE 35 4.244 -8.771 -1.031 288 HD11 ILE 35 HD11 ILE 35 3.810 -10.915 2.848 289 HD12 ILE 35 HD12 ILE 35 4.726 -9.599 2.115 290 HD13 ILE 35 HD13 ILE 35 5.419 -11.218 2.193 291 H SER 36 HN SER 36 4.179 -9.536 -3.541 292 HA SER 36 HA SER 36 6.400 -10.505 -5.192 293 HB2 SER 36 HB2 SER 36 4.156 -9.454 -5.974 294 HB3 SER 36 HB1 SER 36 4.917 -7.912 -5.616 295 HG SER 36 HG SER 36 6.408 -8.281 -7.151 296 H GLN 37 HN GLN 37 5.648 -7.284 -3.810 297 HA GLN 37 HA GLN 37 8.457 -7.025 -2.916 298 HB2 GLN 37 HB2 GLN 37 8.398 -6.283 -5.320 299 HB3 GLN 37 HB1 GLN 37 7.247 -5.030 -4.851 300 HG2 GLN 37 HG2 GLN 37 8.890 -4.125 -3.245 301 HG3 GLN 37 HG1 GLN 37 10.047 -5.361 -3.741 302 HE21 GLN 37 HE21 GLN 37 11.485 -4.649 -5.306 303 HE22 GLN 37 HE22 GLN 37 11.167 -3.435 -6.450 304 H VAL 38 HN VAL 38 8.719 -5.396 -1.361 305 HA VAL 38 HA VAL 38 6.308 -3.807 -0.587 306 HB VAL 38 HB VAL 38 6.609 -4.393 1.774 307 HG11 VAL 38 HG11 VAL 38 5.097 -5.800 0.462 308 HG12 VAL 38 HG12 VAL 38 5.940 -6.783 1.655 309 HG13 VAL 38 HG13 VAL 38 6.445 -6.820 -0.032 310 HG21 VAL 38 HG21 VAL 38 8.180 -6.373 2.253 311 HG22 VAL 38 HG22 VAL 38 8.944 -4.814 1.951 312 HG23 VAL 38 HG23 VAL 38 8.897 -6.036 0.677 313 H GLY 39 HN GLY 39 6.881 -1.882 0.633 314 HA2 GLY 39 HA2 GLY 39 9.577 -1.257 1.363 315 HA3 GLY 39 HA1 GLY 39 9.261 -0.616 -0.247 316 H LEU 40 HN LEU 40 9.561 1.493 0.733 317 HA LEU 40 HA LEU 40 7.117 2.474 2.168 318 HB2 LEU 40 HB2 LEU 40 9.256 2.392 3.561 319 HB3 LEU 40 HB1 LEU 40 9.896 3.614 2.469 320 HG LEU 40 HG LEU 40 7.737 4.951 3.011 321 HD11 LEU 40 HD11 LEU 40 6.409 3.328 4.164 322 HD12 LEU 40 HD12 LEU 40 6.960 4.447 5.399 323 HD13 LEU 40 HD13 LEU 40 7.739 2.878 5.226 324 HD21 LEU 40 HD21 LEU 40 9.786 5.832 3.790 325 HD22 LEU 40 HD22 LEU 40 10.047 4.490 4.904 326 HD23 LEU 40 HD23 LEU 40 8.813 5.698 5.253 327 H LEU 41 HN LEU 41 6.283 4.445 1.458 328 HA LEU 41 HA LEU 41 7.427 5.476 -1.116 329 HB2 LEU 41 HB2 LEU 41 4.630 5.814 0.002 330 HB3 LEU 41 HB1 LEU 41 5.183 6.258 -1.610 331 HG LEU 41 HG LEU 41 5.131 3.451 -0.482 332 HD11 LEU 41 HD11 LEU 41 3.386 3.152 -2.317 333 HD12 LEU 41 HD12 LEU 41 3.341 4.912 -2.433 334 HD13 LEU 41 HD13 LEU 41 2.881 4.114 -0.929 335 HD21 LEU 41 HD21 LEU 41 5.509 2.979 -3.038 336 HD22 LEU 41 HD22 LEU 41 6.887 3.426 -2.040 337 HD23 LEU 41 HD23 LEU 41 6.119 4.633 -3.074 338 H GLY 42 HN GLY 42 8.261 7.468 -1.102 339 HA2 GLY 42 HA2 GLY 42 8.010 9.139 1.336 340 HA3 GLY 42 HA1 GLY 42 9.206 9.337 0.064 341 H ASP 43 HN ASP 43 6.028 10.193 1.127 342 HA ASP 43 HA ASP 43 5.541 11.741 -1.388 343 HB2 ASP 43 HB2 ASP 43 3.746 10.208 -0.448 344 HB3 ASP 43 HB1 ASP 43 3.632 11.326 0.909 345 H GLU 44 HN GLU 44 4.652 13.953 -1.065 346 HA GLU 44 HA GLU 44 6.361 15.502 0.681 347 HB2 GLU 44 HB2 GLU 44 3.959 16.234 -1.012 348 HB3 GLU 44 HB1 GLU 44 4.944 17.414 -0.146 349 HG2 GLU 44 HG2 GLU 44 6.928 16.731 -1.385 350 HG3 GLU 44 HG1 GLU 44 6.020 15.448 -2.186 351 H THR 45 HN THR 45 3.237 14.044 1.049 352 HA THR 45 HA THR 45 2.480 15.824 3.290 353 HB THR 45 HB THR 45 0.407 14.595 3.317 354 HG1 THR 45 HG1 THR 45 1.952 12.736 1.905 355 HG21 THR 45 HG21 THR 45 1.164 14.699 0.397 356 HG22 THR 45 HG22 THR 45 0.957 16.169 1.349 357 HG23 THR 45 HG23 THR 45 -0.395 15.058 1.137 358 H GLY 46 HN GLY 46 4.280 12.971 2.798 359 HA2 GLY 46 HA2 GLY 46 5.307 12.590 5.271 360 HA3 GLY 46 HA1 GLY 46 3.717 11.852 5.470 361 H ILE 47 HN ILE 47 4.546 9.760 5.720 362 HA ILE 47 HA ILE 47 5.610 8.506 3.215 363 HB ILE 47 HB ILE 47 6.915 6.978 4.788 364 HG12 ILE 47 HG12 ILE 47 5.529 8.042 6.813 365 HG13 ILE 47 HG11 ILE 47 7.178 7.478 7.040 366 HG21 ILE 47 HG21 ILE 47 7.574 9.882 4.358 367 HG22 ILE 47 HG22 ILE 47 8.191 8.464 3.512 368 HG23 ILE 47 HG23 ILE 47 8.708 8.795 5.158 369 HD11 ILE 47 HD11 ILE 47 6.638 10.349 6.272 370 HD12 ILE 47 HD12 ILE 47 8.056 9.668 7.054 371 HD13 ILE 47 HD13 ILE 47 6.548 9.827 7.951 372 H ILE 48 HN ILE 48 5.134 6.182 3.081 373 HA ILE 48 HA ILE 48 3.221 5.040 4.983 374 HB ILE 48 HB ILE 48 1.720 6.419 3.646 375 HG12 ILE 48 HG12 ILE 48 1.471 3.541 2.753 376 HG13 ILE 48 HG11 ILE 48 1.069 4.091 4.381 377 HG21 ILE 48 HG21 ILE 48 2.829 4.890 1.278 378 HG22 ILE 48 HG22 ILE 48 3.152 6.585 1.639 379 HG23 ILE 48 HG23 ILE 48 1.519 6.068 1.221 380 HD11 ILE 48 HD11 ILE 48 -0.193 5.025 1.789 381 HD12 ILE 48 HD12 ILE 48 -0.511 5.754 3.363 382 HD13 ILE 48 HD13 ILE 48 -0.966 4.078 3.059 383 H LYS 49 HN LYS 49 3.198 2.816 4.849 384 HA LYS 49 HA LYS 49 5.205 1.585 3.067 385 HB2 LYS 49 HB2 LYS 49 5.107 0.969 5.469 386 HB3 LYS 49 HB1 LYS 49 3.472 0.354 5.226 387 HG2 LYS 49 HG2 LYS 49 4.304 -1.295 3.613 388 HG3 LYS 49 HG1 LYS 49 5.939 -0.657 3.780 389 HD2 LYS 49 HD2 LYS 49 5.919 -1.252 6.178 390 HD3 LYS 49 HD1 LYS 49 4.290 -1.906 5.996 391 HE2 LYS 49 HE2 LYS 49 5.114 -3.545 4.359 392 HE3 LYS 49 HE1 LYS 49 6.743 -2.883 4.504 393 HZ1 LYS 49 HZ1 LYS 49 6.512 -4.819 5.889 394 HZ2 LYS 49 HZ2 LYS 49 5.157 -4.153 6.669 395 HZ3 LYS 49 HZ3 LYS 49 6.689 -3.448 6.871 396 H PHE 50 HN PHE 50 4.680 0.006 1.418 397 HA PHE 50 HA PHE 50 1.797 -0.614 1.057 398 HB2 PHE 50 HB2 PHE 50 1.805 0.063 -1.232 399 HB3 PHE 50 HB1 PHE 50 2.489 1.417 -0.340 400 HD1 PHE 50 HD2 PHE 50 5.190 1.191 0.011 401 HD2 PHE 50 HD1 PHE 50 2.917 -0.585 -3.177 402 HE1 PHE 50 HE2 PHE 50 7.237 1.062 -1.385 403 HE2 PHE 50 HE1 PHE 50 4.963 -0.711 -4.560 404 HZ PHE 50 HZ PHE 50 7.124 0.107 -3.672 405 H THR 51 HN THR 51 1.526 -2.495 -0.360 406 HA THR 51 HA THR 51 4.003 -4.135 -0.744 407 HB THR 51 HB THR 51 2.991 -4.929 1.318 408 HG1 THR 51 HG1 THR 51 1.937 -6.941 -0.019 409 HG21 THR 51 HG21 THR 51 0.657 -5.625 1.425 410 HG22 THR 51 HG22 THR 51 0.434 -5.229 -0.278 411 HG23 THR 51 HG23 THR 51 0.741 -3.946 0.892 412 H ILE 52 HN ILE 52 4.040 -5.249 -2.622 413 HA ILE 52 HA ILE 52 1.665 -5.008 -4.435 414 HB ILE 52 HB ILE 52 4.584 -5.510 -5.082 415 HG12 ILE 52 HG12 ILE 52 2.855 -3.088 -5.661 416 HG13 ILE 52 HG11 ILE 52 3.930 -3.196 -4.267 417 HG21 ILE 52 HG21 ILE 52 3.199 -6.589 -6.738 418 HG22 ILE 52 HG22 ILE 52 3.758 -5.070 -7.436 419 HG23 ILE 52 HG23 ILE 52 2.115 -5.200 -6.811 420 HD11 ILE 52 HD11 ILE 52 4.970 -3.710 -7.054 421 HD12 ILE 52 HD12 ILE 52 5.866 -3.241 -5.611 422 HD13 ILE 52 HD13 ILE 52 4.835 -2.068 -6.429 423 H TRP 53 HN TRP 53 0.588 -6.827 -4.998 424 HA TRP 53 HA TRP 53 1.535 -9.413 -3.971 425 HB2 TRP 53 HB2 TRP 53 -0.986 -8.511 -5.378 426 HB3 TRP 53 HB1 TRP 53 -0.683 -10.193 -4.938 427 HD1 TRP 53 HD1 TRP 53 -1.830 -6.928 -3.533 428 HE1 TRP 53 HE1 TRP 53 -2.269 -7.168 -1.003 429 HE3 TRP 53 HE3 TRP 53 0.246 -11.513 -2.716 430 HZ2 TRP 53 HZ2 TRP 53 -1.797 -9.062 1.093 431 HZ3 TRP 53 HZ3 TRP 53 0.243 -12.515 -0.449 432 HH2 TRP 53 HH2 TRP 53 -0.777 -11.296 1.455 433 H LYS 54 HN LYS 54 2.142 -11.152 -5.213 434 HA LYS 54 HA LYS 54 3.375 -10.697 -7.748 435 HB2 LYS 54 HB2 LYS 54 3.778 -12.591 -6.020 436 HB3 LYS 54 HB1 LYS 54 2.419 -13.399 -6.793 437 HG2 LYS 54 HG2 LYS 54 4.173 -14.258 -8.050 438 HG3 LYS 54 HG1 LYS 54 3.763 -12.851 -9.022 439 HD2 LYS 54 HD2 LYS 54 5.528 -11.559 -7.778 440 HD3 LYS 54 HD1 LYS 54 5.988 -13.056 -6.969 441 HE2 LYS 54 HE2 LYS 54 5.981 -12.637 -9.973 442 HE3 LYS 54 HE1 LYS 54 7.416 -12.605 -8.948 443 HZ1 LYS 54 HZ1 LYS 54 7.317 -14.770 -9.765 444 HZ2 LYS 54 HZ2 LYS 54 5.637 -14.888 -9.544 445 HZ3 LYS 54 HZ3 LYS 54 6.676 -14.898 -8.201 446 H ASN 55 HN ASN 55 0.161 -11.779 -6.845 447 HA ASN 55 HA ASN 55 -0.678 -12.821 -9.347 448 HB2 ASN 55 HB2 ASN 55 -2.165 -11.455 -7.098 449 HB3 ASN 55 HB1 ASN 55 -2.996 -12.083 -8.521 450 HD21 ASN 55 HD21 ASN 55 -3.469 -13.200 -5.924 451 HD22 ASN 55 HD22 ASN 55 -2.851 -14.781 -5.900 452 H ALA 56 HN ALA 56 0.181 -9.629 -8.509 453 HA ALA 56 HA ALA 56 -1.537 -8.354 -10.545 454 HB1 ALA 56 HB1 ALA 56 -0.681 -6.299 -9.753 455 HB2 ALA 56 HB2 ALA 56 0.793 -7.046 -9.135 456 HB3 ALA 56 HB3 ALA 56 -0.740 -7.304 -8.307 457 H GLU 57 HN GLU 57 1.701 -9.605 -10.196 458 HA GLU 57 HA GLU 57 3.509 -9.714 -11.685 459 HB2 GLU 57 HB2 GLU 57 1.143 -9.833 -13.573 460 HB3 GLU 57 HB1 GLU 57 2.808 -10.159 -14.064 461 HG2 GLU 57 HG2 GLU 57 2.973 -11.970 -12.436 462 HG3 GLU 57 HG1 GLU 57 1.351 -11.617 -11.844 463 H LEU 58 HN LEU 58 3.291 -7.172 -10.858 464 HA LEU 58 HA LEU 58 3.228 -5.465 -13.287 465 HB2 LEU 58 HB2 LEU 58 3.222 -4.773 -10.352 466 HB3 LEU 58 HB1 LEU 58 3.289 -3.569 -11.636 467 HG LEU 58 HG LEU 58 1.112 -5.660 -11.659 468 HD11 LEU 58 HD11 LEU 58 1.099 -3.071 -10.083 469 HD12 LEU 58 HD12 LEU 58 1.003 -4.702 -9.420 470 HD13 LEU 58 HD13 LEU 58 -0.322 -4.068 -10.396 471 HD21 LEU 58 HD21 LEU 58 1.320 -2.788 -12.640 472 HD22 LEU 58 HD22 LEU 58 -0.126 -3.787 -12.769 473 HD23 LEU 58 HD23 LEU 58 1.332 -4.235 -13.645 474 HA PRO 59 HA PRO 59 7.656 -5.094 -13.541 475 HB2 PRO 59 HB2 PRO 59 7.350 -2.122 -13.647 476 HB3 PRO 59 HB1 PRO 59 8.135 -3.217 -14.802 477 HG2 PRO 59 HG2 PRO 59 5.751 -2.087 -15.296 478 HG3 PRO 59 HG1 PRO 59 6.167 -3.710 -15.875 479 HD2 PRO 59 HD2 PRO 59 4.344 -2.921 -13.637 480 HD3 PRO 59 HD1 PRO 59 4.287 -4.328 -14.723 481 H LEU 60 HN LEU 60 9.466 -4.634 -12.213 482 HA LEU 60 HA LEU 60 8.922 -4.107 -9.427 483 HB2 LEU 60 HB2 LEU 60 11.585 -4.154 -10.875 484 HB3 LEU 60 HB1 LEU 60 11.332 -4.360 -9.141 485 HG LEU 60 HG LEU 60 10.259 -6.194 -11.306 486 HD11 LEU 60 HD11 LEU 60 12.587 -6.404 -9.388 487 HD12 LEU 60 HD12 LEU 60 12.609 -6.549 -11.146 488 HD13 LEU 60 HD13 LEU 60 11.875 -7.819 -10.165 489 HD21 LEU 60 HD21 LEU 60 9.893 -7.648 -9.142 490 HD22 LEU 60 HD22 LEU 60 8.718 -6.402 -9.547 491 HD23 LEU 60 HD23 LEU 60 9.936 -6.094 -8.308 492 H LEU 61 HN LEU 61 9.279 -2.279 -8.236 493 HA LEU 61 HA LEU 61 9.456 0.261 -9.692 494 HB2 LEU 61 HB2 LEU 61 9.007 -0.525 -6.811 495 HB3 LEU 61 HB1 LEU 61 9.279 1.156 -7.265 496 HG LEU 61 HG LEU 61 7.382 1.054 -8.830 497 HD11 LEU 61 HD11 LEU 61 7.302 -1.193 -9.552 498 HD12 LEU 61 HD12 LEU 61 5.876 -1.045 -8.529 499 HD13 LEU 61 HD13 LEU 61 7.329 -1.821 -7.904 500 HD21 LEU 61 HD21 LEU 61 6.557 -0.032 -6.125 501 HD22 LEU 61 HD22 LEU 61 5.636 1.048 -7.171 502 HD23 LEU 61 HD23 LEU 61 7.097 1.628 -6.372 503 H GLU 62 HN GLU 62 11.154 1.756 -9.521 504 HA GLU 62 HA GLU 62 13.736 0.633 -8.524 505 HB2 GLU 62 HB2 GLU 62 13.092 2.886 -10.444 506 HB3 GLU 62 HB1 GLU 62 14.727 2.493 -9.904 507 HG2 GLU 62 HG2 GLU 62 14.502 0.221 -10.791 508 HG3 GLU 62 HG1 GLU 62 12.841 0.558 -11.279 509 H GLN 63 HN GLN 63 14.881 1.636 -6.939 510 HA GLN 63 HA GLN 63 13.480 3.528 -5.233 511 HB2 GLN 63 HB2 GLN 63 14.965 1.749 -4.341 512 HB3 GLN 63 HB1 GLN 63 16.346 2.579 -5.053 513 HG2 GLN 63 HG2 GLN 63 15.872 4.575 -3.703 514 HG3 GLN 63 HG1 GLN 63 14.450 3.789 -3.017 515 HE21 GLN 63 HE21 GLN 63 16.621 4.687 -1.373 516 HE22 GLN 63 HE22 GLN 63 17.371 3.323 -0.695 517 H GLY 64 HN GLY 64 13.818 5.704 -5.000 518 HA2 GLY 64 HA2 GLY 64 15.047 7.757 -5.197 519 HA3 GLY 64 HA1 GLY 64 16.112 6.991 -6.379 520 H GLU 65 HN GLU 65 13.492 5.887 -7.641 521 HA GLU 65 HA GLU 65 13.067 8.263 -9.376 522 HB2 GLU 65 HB2 GLU 65 12.410 5.331 -9.719 523 HB3 GLU 65 HB1 GLU 65 11.931 6.579 -10.871 524 HG2 GLU 65 HG2 GLU 65 14.292 7.222 -11.166 525 HG3 GLU 65 HG1 GLU 65 14.776 5.985 -10.004 526 H SER 66 HN SER 66 10.918 8.765 -10.091 527 HA SER 66 HA SER 66 8.954 8.670 -7.885 528 HB2 SER 66 HB2 SER 66 9.197 10.266 -10.418 529 HB3 SER 66 HB1 SER 66 7.673 10.219 -9.534 530 HG SER 66 HG SER 66 8.893 10.879 -7.674 531 H TYR 67 HN TYR 67 6.837 7.826 -8.127 532 HA TYR 67 HA TYR 67 6.247 6.319 -10.628 533 HB2 TYR 67 HB2 TYR 67 6.506 5.163 -7.850 534 HB3 TYR 67 HB1 TYR 67 5.405 4.430 -9.017 535 HD1 TYR 67 HD2 TYR 67 6.278 3.572 -11.195 536 HD2 TYR 67 HD1 TYR 67 8.881 4.920 -8.057 537 HE1 TYR 67 HE2 TYR 67 8.181 2.405 -12.274 538 HE2 TYR 67 HE1 TYR 67 10.782 3.752 -9.135 539 HH TYR 67 HH TYR 67 11.386 2.322 -10.741 540 H LEU 68 HN LEU 68 4.130 6.158 -11.069 541 HA LEU 68 HA LEU 68 2.228 7.635 -9.280 542 HB2 LEU 68 HB2 LEU 68 2.463 8.706 -11.464 543 HB3 LEU 68 HB1 LEU 68 2.157 7.175 -12.281 544 HG LEU 68 HG LEU 68 -0.112 7.108 -11.421 545 HD11 LEU 68 HD11 LEU 68 0.814 9.473 -9.805 546 HD12 LEU 68 HD12 LEU 68 -0.055 8.038 -9.266 547 HD13 LEU 68 HD13 LEU 68 -0.896 9.280 -10.187 548 HD21 LEU 68 HD21 LEU 68 0.397 8.461 -13.470 549 HD22 LEU 68 HD22 LEU 68 0.482 9.896 -12.447 550 HD23 LEU 68 HD23 LEU 68 -1.039 9.015 -12.606 551 H LEU 69 HN LEU 69 0.562 6.470 -8.415 552 HA LEU 69 HA LEU 69 0.144 3.667 -9.406 553 HB2 LEU 69 HB2 LEU 69 -0.483 4.807 -6.672 554 HB3 LEU 69 HB1 LEU 69 -0.502 3.113 -7.154 555 HG LEU 69 HG LEU 69 1.952 4.888 -7.137 556 HD11 LEU 69 HD11 LEU 69 1.142 2.620 -5.295 557 HD12 LEU 69 HD12 LEU 69 1.119 4.332 -4.875 558 HD13 LEU 69 HD13 LEU 69 2.651 3.528 -5.216 559 HD21 LEU 69 HD21 LEU 69 3.037 2.528 -7.357 560 HD22 LEU 69 HD22 LEU 69 2.333 3.252 -8.798 561 HD23 LEU 69 HD23 LEU 69 1.444 2.013 -7.909 562 H ARG 70 HN ARG 70 -1.741 3.381 -10.422 563 HA ARG 70 HA ARG 70 -4.071 5.154 -9.727 564 HB2 ARG 70 HB2 ARG 70 -3.273 3.923 -12.376 565 HB3 ARG 70 HB1 ARG 70 -4.817 4.726 -12.089 566 HG2 ARG 70 HG2 ARG 70 -3.671 6.803 -11.518 567 HG3 ARG 70 HG1 ARG 70 -2.109 6.008 -11.685 568 HD2 ARG 70 HD2 ARG 70 -2.612 7.270 -13.722 569 HD3 ARG 70 HD1 ARG 70 -2.623 5.540 -14.071 570 HE ARG 70 HE ARG 70 -5.268 6.430 -13.369 571 HH11 ARG 70 HH21 ARG 70 -2.866 6.496 -15.845 572 HH12 ARG 70 HH22 ARG 70 -4.014 6.648 -17.133 573 HH21 ARG 70 HH11 ARG 70 -6.774 6.626 -15.034 574 HH22 ARG 70 HH12 ARG 70 -6.226 6.721 -16.675 575 H SER 71 HN SER 71 -6.085 4.208 -9.565 576 HA SER 71 HA SER 71 -7.624 2.546 -9.030 577 HB2 SER 71 HB2 SER 71 -7.663 1.882 -11.278 578 HB3 SER 71 HB1 SER 71 -6.015 1.273 -11.232 579 HG SER 71 HG SER 71 -8.252 0.187 -9.857 580 H VAL 72 HN VAL 72 -5.939 2.707 -7.005 581 HA VAL 72 HA VAL 72 -5.058 -0.101 -6.408 582 HB VAL 72 HB VAL 72 -3.598 0.962 -4.665 583 HG11 VAL 72 HG11 VAL 72 -2.889 0.384 -7.065 584 HG12 VAL 72 HG12 VAL 72 -1.879 1.533 -6.197 585 HG13 VAL 72 HG13 VAL 72 -3.030 2.108 -7.403 586 HG21 VAL 72 HG21 VAL 72 -4.181 3.557 -6.109 587 HG22 VAL 72 HG22 VAL 72 -3.271 3.326 -4.617 588 HG23 VAL 72 HG23 VAL 72 -5.019 3.104 -4.626 589 H VAL 73 HN VAL 73 -5.277 -0.667 -4.076 590 HA VAL 73 HA VAL 73 -7.760 0.534 -2.880 591 HB VAL 73 HB VAL 73 -8.026 -1.770 -3.918 592 HG11 VAL 73 HG11 VAL 73 -6.481 -2.723 -1.499 593 HG12 VAL 73 HG12 VAL 73 -5.713 -2.507 -3.072 594 HG13 VAL 73 HG13 VAL 73 -7.029 -3.664 -2.887 595 HG21 VAL 73 HG21 VAL 73 -9.579 -0.945 -2.233 596 HG22 VAL 73 HG22 VAL 73 -8.474 -1.413 -0.941 597 HG23 VAL 73 HG23 VAL 73 -9.252 -2.651 -1.927 598 H VAL 74 HN VAL 74 -7.754 0.855 -0.688 599 HA VAL 74 HA VAL 74 -5.105 0.836 0.624 600 HB VAL 74 HB VAL 74 -7.766 1.849 1.670 601 HG11 VAL 74 HG11 VAL 74 -6.127 1.560 3.430 602 HG12 VAL 74 HG12 VAL 74 -6.225 3.282 3.061 603 HG13 VAL 74 HG13 VAL 74 -4.875 2.324 2.451 604 HG21 VAL 74 HG21 VAL 74 -6.963 4.063 0.881 605 HG22 VAL 74 HG22 VAL 74 -7.174 2.937 -0.460 606 HG23 VAL 74 HG23 VAL 74 -5.558 3.282 0.156 607 H GLY 75 HN GLY 75 -4.518 -0.632 2.178 608 HA2 GLY 75 HA2 GLY 75 -6.598 -2.574 3.132 609 HA3 GLY 75 HA1 GLY 75 -4.898 -2.972 2.899 610 H GLU 76 HN GLU 76 -6.479 -3.197 5.369 611 HA GLU 76 HA GLU 76 -5.315 -1.088 7.116 612 HB2 GLU 76 HB2 GLU 76 -7.698 -1.751 7.400 613 HB3 GLU 76 HB1 GLU 76 -7.176 -3.395 7.768 614 HG2 GLU 76 HG2 GLU 76 -5.929 -2.595 9.717 615 HG3 GLU 76 HG1 GLU 76 -6.364 -0.930 9.334 616 H TYR 77 HN TYR 77 -3.227 -1.525 7.694 617 HA TYR 77 HA TYR 77 -2.435 -4.366 8.220 618 HB2 TYR 77 HB2 TYR 77 -1.103 -3.039 6.581 619 HB3 TYR 77 HB1 TYR 77 -0.696 -1.905 7.869 620 HD1 TYR 77 HD2 TYR 77 -0.410 -5.452 6.787 621 HD2 TYR 77 HD1 TYR 77 1.022 -2.399 9.445 622 HE1 TYR 77 HE2 TYR 77 1.455 -6.932 7.481 623 HE2 TYR 77 HE1 TYR 77 2.888 -3.877 10.138 624 HH TYR 77 HH TYR 77 3.219 -7.167 8.798 625 H ASN 78 HN ASN 78 -2.764 -4.865 10.311 626 HA ASN 78 HA ASN 78 -2.915 -4.635 12.644 627 HB2 ASN 78 HB2 ASN 78 -0.249 -3.373 11.981 628 HB3 ASN 78 HB1 ASN 78 -0.770 -3.723 13.631 629 HD21 ASN 78 HD21 ASN 78 1.501 -5.043 12.495 630 HD22 ASN 78 HD22 ASN 78 1.123 -6.687 12.300 631 H ASP 79 HN ASP 79 -1.106 -1.974 13.377 632 HA ASP 79 HA ASP 79 -3.549 -0.361 13.866 633 HB2 ASP 79 HB2 ASP 79 -0.691 -0.140 14.840 634 HB3 ASP 79 HB1 ASP 79 -1.944 1.039 15.231 635 H ARG 80 HN ARG 80 -0.880 -0.477 11.707 636 HA ARG 80 HA ARG 80 -1.208 2.400 10.955 637 HB2 ARG 80 HB2 ARG 80 1.097 1.549 11.370 638 HB3 ARG 80 HB1 ARG 80 0.886 0.409 10.039 639 HG2 ARG 80 HG2 ARG 80 0.510 2.278 8.480 640 HG3 ARG 80 HG1 ARG 80 0.683 3.426 9.806 641 HD2 ARG 80 HD2 ARG 80 2.994 2.547 10.196 642 HD3 ARG 80 HD1 ARG 80 2.811 1.540 8.758 643 HE ARG 80 HE ARG 80 2.208 4.235 8.051 644 HH11 ARG 80 HH21 ARG 80 4.806 2.220 9.089 645 HH12 ARG 80 HH22 ARG 80 6.019 3.127 8.247 646 HH21 ARG 80 HH11 ARG 80 3.774 5.425 6.945 647 HH22 ARG 80 HH12 ARG 80 5.434 4.941 7.032 648 H PHE 81 HN PHE 81 -1.845 3.002 8.902 649 HA PHE 81 HA PHE 81 -3.453 1.091 7.411 650 HB2 PHE 81 HB2 PHE 81 -2.654 3.972 6.935 651 HB3 PHE 81 HB1 PHE 81 -3.677 3.071 5.815 652 HD1 PHE 81 HD1 PHE 81 -5.894 2.237 6.527 653 HD2 PHE 81 HD2 PHE 81 -3.482 4.704 9.086 654 HE1 PHE 81 HE1 PHE 81 -7.870 2.685 7.954 655 HE2 PHE 81 HE2 PHE 81 -5.459 5.154 10.514 656 HZ PHE 81 HZ PHE 81 -7.653 4.144 9.948 657 H GLN 82 HN GLN 82 -3.023 0.422 5.188 658 HA GLN 82 HA GLN 82 -0.258 0.880 4.185 659 HB2 GLN 82 HB2 GLN 82 -0.173 -1.195 5.531 660 HB3 GLN 82 HB1 GLN 82 -1.504 -1.862 4.587 661 HG2 GLN 82 HG2 GLN 82 -0.114 -1.694 2.536 662 HG3 GLN 82 HG1 GLN 82 1.214 -1.062 3.506 663 HE21 GLN 82 HE21 GLN 82 2.700 -2.656 4.020 664 HE22 GLN 82 HE22 GLN 82 2.330 -4.290 4.287 665 H VAL 83 HN VAL 83 -0.093 0.524 1.900 666 HA VAL 83 HA VAL 83 -2.744 0.493 0.496 667 HB VAL 83 HB VAL 83 -0.103 1.301 -0.730 668 HG11 VAL 83 HG11 VAL 83 -1.473 2.477 -2.290 669 HG12 VAL 83 HG12 VAL 83 -2.904 2.302 -1.273 670 HG13 VAL 83 HG13 VAL 83 -2.225 0.893 -2.091 671 HG21 VAL 83 HG21 VAL 83 -0.262 2.676 1.239 672 HG22 VAL 83 HG22 VAL 83 -1.982 2.958 0.969 673 HG23 VAL 83 HG23 VAL 83 -0.790 3.662 -0.125 674 H GLN 84 HN GLN 84 -3.241 -1.370 -0.524 675 HA GLN 84 HA GLN 84 -1.043 -3.294 -1.195 676 HB2 GLN 84 HB2 GLN 84 -4.028 -3.681 -0.820 677 HB3 GLN 84 HB1 GLN 84 -2.918 -4.953 -1.334 678 HG2 GLN 84 HG2 GLN 84 -1.632 -4.700 0.735 679 HG3 GLN 84 HG1 GLN 84 -2.686 -3.380 1.246 680 HE21 GLN 84 HE21 GLN 84 -2.848 -5.171 3.115 681 HE22 GLN 84 HE22 GLN 84 -4.152 -6.246 2.955 682 H VAL 85 HN VAL 85 -0.579 -3.612 -3.302 683 HA VAL 85 HA VAL 85 -2.407 -2.458 -5.372 684 HB VAL 85 HB VAL 85 0.526 -3.222 -5.434 685 HG11 VAL 85 HG11 VAL 85 -1.363 -2.358 -7.632 686 HG12 VAL 85 HG12 VAL 85 -0.307 -3.770 -7.602 687 HG13 VAL 85 HG13 VAL 85 0.385 -2.156 -7.760 688 HG21 VAL 85 HG21 VAL 85 0.057 -1.103 -4.318 689 HG22 VAL 85 HG22 VAL 85 -0.962 -0.589 -5.663 690 HG23 VAL 85 HG23 VAL 85 0.776 -0.778 -5.896 691 H ASN 86 HN ASN 86 -3.435 -3.818 -6.782 692 HA ASN 86 HA ASN 86 -2.533 -6.665 -6.956 693 HB2 ASN 86 HB2 ASN 86 -5.436 -5.849 -6.700 694 HB3 ASN 86 HB1 ASN 86 -4.766 -7.479 -6.653 695 HD21 ASN 86 HD21 ASN 86 -4.875 -4.402 -4.830 696 HD22 ASN 86 HD22 ASN 86 -4.507 -5.097 -3.325 697 H LYS 87 HN LYS 87 -4.484 -7.582 -8.618 698 HA LYS 87 HA LYS 87 -3.677 -6.743 -11.192 699 HB2 LYS 87 HB2 LYS 87 -6.217 -8.101 -10.255 700 HB3 LYS 87 HB1 LYS 87 -5.790 -7.902 -11.956 701 HG2 LYS 87 HG2 LYS 87 -3.743 -9.180 -11.641 702 HG3 LYS 87 HG1 LYS 87 -4.035 -9.279 -9.905 703 HD2 LYS 87 HD2 LYS 87 -4.719 -11.370 -10.993 704 HD3 LYS 87 HD1 LYS 87 -6.125 -10.534 -10.333 705 HE2 LYS 87 HE2 LYS 87 -5.332 -10.003 -13.186 706 HE3 LYS 87 HE1 LYS 87 -6.194 -11.491 -12.795 707 HZ1 LYS 87 HZ1 LYS 87 -7.545 -9.572 -11.420 708 HZ2 LYS 87 HZ2 LYS 87 -8.027 -10.265 -12.893 709 HZ3 LYS 87 HZ3 LYS 87 -7.165 -8.801 -12.882 710 H ASN 88 HN ASN 88 -5.174 -5.732 -12.861 711 HA ASN 88 HA ASN 88 -6.582 -3.999 -13.589 712 HB2 ASN 88 HB2 ASN 88 -8.000 -5.002 -11.545 713 HB3 ASN 88 HB1 ASN 88 -7.585 -3.460 -10.803 714 HD21 ASN 88 HD21 ASN 88 -7.551 -2.120 -13.545 715 HD22 ASN 88 HD22 ASN 88 -9.190 -1.922 -13.942 716 H SER 89 HN SER 89 -4.473 -3.654 -10.845 717 HA SER 89 HA SER 89 -4.517 -0.760 -10.751 718 HB2 SER 89 HB2 SER 89 -2.399 -2.712 -9.807 719 HB3 SER 89 HB1 SER 89 -2.489 -1.007 -9.372 720 HG SER 89 HG SER 89 -4.852 -2.286 -8.991 721 H SER 90 HN SER 90 -2.687 0.630 -11.420 722 HA SER 90 HA SER 90 -1.060 -0.471 -13.676 723 HB2 SER 90 HB2 SER 90 -2.753 2.039 -13.672 724 HB3 SER 90 HB1 SER 90 -1.500 1.714 -14.869 725 HG SER 90 HG SER 90 -2.844 -0.461 -14.816 726 H ILE 91 HN ILE 91 0.927 0.777 -14.035 727 HA ILE 91 HA ILE 91 1.613 2.746 -11.908 728 HB ILE 91 HB ILE 91 3.255 0.300 -12.638 729 HG12 ILE 91 HG12 ILE 91 2.081 1.158 -9.978 730 HG13 ILE 91 HG11 ILE 91 1.341 -0.036 -11.039 731 HG21 ILE 91 HG21 ILE 91 4.787 1.233 -10.829 732 HG22 ILE 91 HG22 ILE 91 3.870 2.734 -10.943 733 HG23 ILE 91 HG23 ILE 91 4.767 2.140 -12.339 734 HD11 ILE 91 HD11 ILE 91 4.032 -0.216 -9.685 735 HD12 ILE 91 HD12 ILE 91 3.507 -1.333 -10.944 736 HD13 ILE 91 HD13 ILE 91 2.629 -1.248 -9.416 737 H GLU 92 HN GLU 92 2.685 4.482 -12.809 738 HA GLU 92 HA GLU 92 4.054 4.073 -15.448 739 HB2 GLU 92 HB2 GLU 92 1.807 5.150 -15.745 740 HB3 GLU 92 HB1 GLU 92 2.337 6.459 -14.689 741 HG2 GLU 92 HG2 GLU 92 2.678 7.155 -16.985 742 HG3 GLU 92 HG1 GLU 92 4.259 6.861 -16.264 743 H LYS 93 HN LYS 93 6.017 5.049 -15.568 744 HA LYS 93 HA LYS 93 7.212 6.103 -13.147 745 HB2 LYS 93 HB2 LYS 93 8.172 5.911 -16.003 746 HB3 LYS 93 HB1 LYS 93 9.165 6.572 -14.703 747 HG2 LYS 93 HG2 LYS 93 8.908 4.471 -13.442 748 HG3 LYS 93 HG1 LYS 93 7.940 3.803 -14.748 749 HD2 LYS 93 HD2 LYS 93 10.813 4.751 -15.004 750 HD3 LYS 93 HD1 LYS 93 10.311 3.067 -14.877 751 HE2 LYS 93 HE2 LYS 93 9.945 4.981 -17.166 752 HE3 LYS 93 HE1 LYS 93 10.511 3.315 -17.191 753 HZ1 LYS 93 HZ1 LYS 93 8.357 3.227 -18.034 754 HZ2 LYS 93 HZ2 LYS 93 7.746 4.308 -16.874 755 HZ3 LYS 93 HZ3 LYS 93 8.183 2.729 -16.422 756 H LEU 94 HN LEU 94 7.653 8.231 -12.622 757 HA LEU 94 HA LEU 94 6.253 10.271 -14.285 758 HB2 LEU 94 HB2 LEU 94 6.226 9.833 -11.563 759 HB3 LEU 94 HB1 LEU 94 7.438 11.101 -11.684 760 HG LEU 94 HG LEU 94 5.668 12.274 -13.253 761 HD11 LEU 94 HD11 LEU 94 4.221 10.119 -13.117 762 HD12 LEU 94 HD12 LEU 94 3.404 11.671 -12.929 763 HD13 LEU 94 HD13 LEU 94 3.772 10.692 -11.510 764 HD21 LEU 94 HD21 LEU 94 6.321 13.288 -11.181 765 HD22 LEU 94 HD22 LEU 94 5.487 12.058 -10.235 766 HD23 LEU 94 HD23 LEU 94 4.560 13.237 -11.166 767 H SER 95 HN SER 95 7.352 11.788 -15.398 768 HA SER 95 HA SER 95 10.282 11.646 -15.486 769 HB2 SER 95 HB2 SER 95 10.087 13.185 -17.351 770 HB3 SER 95 HB1 SER 95 8.857 11.936 -17.533 771 HG SER 95 HG SER 95 8.481 14.513 -17.471 772 H GLU 96 HN GLU 96 8.071 13.258 -13.546 773 HA GLU 96 HA GLU 96 9.927 15.573 -13.106 774 HB2 GLU 96 HB2 GLU 96 7.566 16.086 -13.855 775 HB3 GLU 96 HB1 GLU 96 7.015 15.405 -12.324 776 HG2 GLU 96 HG2 GLU 96 7.221 17.784 -12.000 777 HG3 GLU 96 HG1 GLU 96 8.569 17.023 -11.154 778 HA PRO 97 HA PRO 97 10.572 12.833 -9.420 779 HB2 PRO 97 HB2 PRO 97 12.664 14.939 -9.003 780 HB3 PRO 97 HB1 PRO 97 12.803 13.173 -8.886 781 HG2 PRO 97 HG2 PRO 97 13.776 14.500 -10.985 782 HG3 PRO 97 HG1 PRO 97 13.022 12.905 -11.169 783 HD2 PRO 97 HD2 PRO 97 11.920 15.599 -11.877 784 HD3 PRO 97 HD1 PRO 97 11.659 14.027 -12.668 785 H ILE 98 HN ILE 98 10.294 13.254 -7.134 786 HA ILE 98 HA ILE 98 8.737 15.743 -6.598 787 HB ILE 98 HB ILE 98 8.931 13.152 -5.029 788 HG12 ILE 98 HG12 ILE 98 6.650 14.233 -6.702 789 HG13 ILE 98 HG11 ILE 98 7.826 13.071 -7.314 790 HG21 ILE 98 HG21 ILE 98 8.375 15.047 -3.584 791 HG22 ILE 98 HG22 ILE 98 6.924 14.081 -3.857 792 HG23 ILE 98 HG23 ILE 98 7.155 15.595 -4.735 793 HD11 ILE 98 HD11 ILE 98 7.231 11.564 -5.388 794 HD12 ILE 98 HD12 ILE 98 5.906 11.835 -6.520 795 HD13 ILE 98 HD13 ILE 98 5.937 12.690 -4.978 796 H GLU 99 HN GLU 99 9.245 17.063 -4.810 797 HA GLU 99 HA GLU 99 11.903 17.602 -4.212 798 HB2 GLU 99 HB2 GLU 99 9.471 17.953 -2.446 799 HB3 GLU 99 HB1 GLU 99 11.050 18.657 -2.095 800 HG2 GLU 99 HG2 GLU 99 11.002 19.893 -4.204 801 HG3 GLU 99 HG1 GLU 99 9.463 19.143 -4.631 802 H VAL 100 HN VAL 100 9.962 16.345 -1.529 803 HA VAL 100 HA VAL 100 10.483 14.770 0.114 804 HB VAL 100 HB VAL 100 12.325 13.469 -1.904 805 HG11 VAL 100 HG11 VAL 100 12.290 12.489 0.335 806 HG12 VAL 100 HG12 VAL 100 11.455 11.416 -0.789 807 HG13 VAL 100 HG13 VAL 100 10.526 12.436 0.311 808 HG21 VAL 100 HG21 VAL 100 9.301 13.550 -1.809 809 HG22 VAL 100 HG22 VAL 100 10.168 12.216 -2.570 810 HG23 VAL 100 HG23 VAL 100 10.356 13.853 -3.185 811 H GLY 101 HN GLY 101 11.733 16.942 0.691 812 HA2 GLY 101 HA2 GLY 101 13.550 17.600 2.073 813 HA3 GLY 101 HA1 GLY 101 14.355 16.077 1.692 814 H LEU 102 HN LEU 102 13.081 18.264 -0.757 815 HA LEU 102 HA LEU 102 15.841 18.567 -1.819 816 HB2 LEU 102 HB2 LEU 102 14.035 17.704 -3.314 817 HB3 LEU 102 HB1 LEU 102 13.190 19.239 -3.123 818 HG LEU 102 HG LEU 102 15.188 20.416 -4.042 819 HD11 LEU 102 HD11 LEU 102 16.248 17.607 -4.104 820 HD12 LEU 102 HD12 LEU 102 17.077 19.109 -3.695 821 HD13 LEU 102 HD13 LEU 102 16.743 18.721 -5.377 822 HD21 LEU 102 HD21 LEU 102 14.873 19.607 -6.395 823 HD22 LEU 102 HD22 LEU 102 13.351 19.854 -5.539 824 HD23 LEU 102 HD23 LEU 102 13.982 18.223 -5.760 825 H GLU 103 HN GLU 103 16.795 20.309 -0.961 826 HA GLU 103 HA GLU 103 15.573 22.956 -1.373 827 HB2 GLU 103 HB2 GLU 103 14.805 22.135 0.906 828 HB3 GLU 103 HB1 GLU 103 16.498 22.133 1.394 829 HG2 GLU 103 HG2 GLU 103 16.681 24.512 1.055 830 HG3 GLU 103 HG1 GLU 103 15.094 24.580 0.288 831 H HIS 104 HN HIS 104 18.180 20.942 -1.528 832 HA HIS 104 HA HIS 104 20.486 21.276 -1.758 833 HB2 HIS 104 HB2 HIS 104 19.460 24.024 -2.529 834 HB3 HIS 104 HB1 HIS 104 21.123 23.485 -2.760 835 HD1 HIS 104 HD1 HIS 104 21.490 21.448 -4.420 836 HD2 HIS 104 HD2 HIS 104 17.638 23.043 -4.433 837 HE1 HIS 104 HE1 HIS 104 20.353 20.557 -6.500 838 H HIS 105 HN HIS 105 21.270 21.059 0.318 839 HA HIS 105 HA HIS 105 21.758 23.591 1.836 840 HB2 HIS 105 HB2 HIS 105 19.836 22.330 2.839 841 HB3 HIS 105 HB1 HIS 105 20.914 20.954 3.074 842 HD1 HIS 105 HD1 HIS 105 20.699 24.636 4.043 843 HD2 HIS 105 HD2 HIS 105 22.357 21.073 5.434 844 HE1 HIS 105 HE1 HIS 105 21.716 25.153 6.304 845 H HIS 106 HN HIS 106 23.841 23.731 2.601 846 HA HIS 106 HA HIS 106 25.737 21.674 1.775 847 HB2 HIS 106 HB2 HIS 106 27.435 23.176 2.729 848 HB3 HIS 106 HB1 HIS 106 26.320 24.076 1.700 849 HD1 HIS 106 HD1 HIS 106 24.202 25.172 3.121 850 HD2 HIS 106 HD2 HIS 106 27.684 24.298 5.237 851 HE1 HIS 106 HE1 HIS 106 24.090 26.510 5.268 852 H HIS 107 HN HIS 107 26.944 20.325 3.140 853 HA HIS 107 HA HIS 107 25.615 19.505 5.591 854 HB2 HIS 107 HB2 HIS 107 28.232 18.657 4.316 855 HB3 HIS 107 HB1 HIS 107 27.523 17.881 5.733 856 HD1 HIS 107 HD1 HIS 107 25.212 16.647 5.380 857 HD2 HIS 107 HD2 HIS 107 27.031 17.959 1.866 858 HE1 HIS 107 HE1 HIS 107 24.032 15.464 3.478 859 H HIS 108 HN HIS 108 26.358 19.753 7.715 860 HA HIS 108 HA HIS 108 27.347 20.955 9.476 861 HB2 HIS 108 HB2 HIS 108 29.726 20.446 7.670 862 HB3 HIS 108 HB1 HIS 108 29.856 21.046 9.323 863 HD1 HIS 108 HD1 HIS 108 28.658 18.017 7.382 864 HD2 HIS 108 HD2 HIS 108 29.588 19.084 11.304 865 HE1 HIS 108 HE1 HIS 108 28.614 15.878 8.736 866 H HIS 109 HN HIS 109 29.086 22.900 9.790 867 HA HIS 109 HA HIS 109 27.867 25.177 8.468 868 HB2 HIS 109 HB2 HIS 109 30.306 24.989 10.262 869 HB3 HIS 109 HB1 HIS 109 29.523 26.492 9.775 870 HD1 HIS 109 HD1 HIS 109 26.950 26.754 10.552 871 HD2 HIS 109 HD2 HIS 109 29.110 23.729 12.440 872 HE1 HIS 109 HE1 HIS 109 25.634 26.118 12.621 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -6.257 10.302 -17.833 2 H2 MET 1 HT2 MET 1 -7.910 10.222 -17.448 3 H3 MET 1 HT3 MET 1 -6.786 10.731 -16.280 4 HA MET 1 HA MET 1 -6.261 12.535 -18.113 5 HB2 MET 1 HB2 MET 1 -9.167 11.750 -18.491 6 HB3 MET 1 HB1 MET 1 -8.447 13.233 -19.112 7 HG2 MET 1 HG2 MET 1 -7.462 10.443 -19.784 8 HG3 MET 1 HG1 MET 1 -8.531 11.392 -20.816 9 HE1 MET 1 HE1 MET 1 -7.683 12.921 -22.643 10 HE2 MET 1 HE2 MET 1 -6.523 14.184 -22.238 11 HE3 MET 1 HE3 MET 1 -7.959 13.969 -21.246 12 H GLU 2 HN GLU 2 -8.407 11.417 -15.621 13 HA GLU 2 HA GLU 2 -7.939 13.816 -14.055 14 HB2 GLU 2 HB2 GLU 2 -9.818 14.472 -15.658 15 HB3 GLU 2 HB1 GLU 2 -10.816 13.280 -14.824 16 HG2 GLU 2 HG2 GLU 2 -11.245 15.380 -13.751 17 HG3 GLU 2 HG1 GLU 2 -10.209 14.468 -12.655 18 HA PRO 3 HA PRO 3 -9.127 9.750 -11.954 19 HB2 PRO 3 HB2 PRO 3 -6.686 9.183 -10.841 20 HB3 PRO 3 HB1 PRO 3 -7.158 8.644 -12.466 21 HG2 PRO 3 HG2 PRO 3 -5.458 10.967 -11.664 22 HG3 PRO 3 HG1 PRO 3 -5.238 9.819 -12.997 23 HD2 PRO 3 HD2 PRO 3 -6.273 12.330 -13.368 24 HD3 PRO 3 HD1 PRO 3 -6.720 10.948 -14.392 25 H GLN 4 HN GLN 4 -9.381 9.460 -9.649 26 HA GLN 4 HA GLN 4 -9.483 11.982 -8.187 27 HB2 GLN 4 HB2 GLN 4 -11.236 10.228 -7.977 28 HB3 GLN 4 HB1 GLN 4 -10.046 9.155 -7.239 29 HG2 GLN 4 HG2 GLN 4 -9.702 10.794 -5.420 30 HG3 GLN 4 HG1 GLN 4 -10.907 11.852 -6.152 31 HE21 GLN 4 HE21 GLN 4 -12.915 11.634 -5.179 32 HE22 GLN 4 HE22 GLN 4 -13.528 10.201 -4.507 33 H LEU 5 HN LEU 5 -7.660 12.790 -7.269 34 HA LEU 5 HA LEU 5 -5.484 10.967 -6.425 35 HB2 LEU 5 HB2 LEU 5 -5.612 13.995 -6.334 36 HB3 LEU 5 HB1 LEU 5 -4.168 12.990 -6.190 37 HG LEU 5 HG LEU 5 -5.958 13.171 -8.631 38 HD11 LEU 5 HD11 LEU 5 -3.243 14.321 -7.962 39 HD12 LEU 5 HD12 LEU 5 -4.689 15.183 -8.490 40 HD13 LEU 5 HD13 LEU 5 -3.814 14.150 -9.621 41 HD21 LEU 5 HD21 LEU 5 -5.074 11.000 -8.710 42 HD22 LEU 5 HD22 LEU 5 -3.567 11.470 -7.923 43 HD23 LEU 5 HD23 LEU 5 -3.866 11.914 -9.604 44 H THR 6 HN THR 6 -5.109 10.471 -4.330 45 HA THR 6 HA THR 6 -6.562 12.019 -2.200 46 HB THR 6 HB THR 6 -6.010 9.039 -2.267 47 HG1 THR 6 HG1 THR 6 -8.353 9.029 -2.369 48 HG21 THR 6 HG21 THR 6 -7.588 9.142 -0.263 49 HG22 THR 6 HG22 THR 6 -7.321 10.885 -0.266 50 HG23 THR 6 HG23 THR 6 -5.967 9.786 -0.001 51 H LYS 7 HN LYS 7 -5.370 12.474 -0.330 52 HA LYS 7 HA LYS 7 -2.443 12.129 -0.599 53 HB2 LYS 7 HB2 LYS 7 -4.157 13.738 1.321 54 HB3 LYS 7 HB1 LYS 7 -2.393 13.754 1.290 55 HG2 LYS 7 HG2 LYS 7 -2.414 14.587 -1.014 56 HG3 LYS 7 HG1 LYS 7 -4.177 14.520 -1.039 57 HD2 LYS 7 HD2 LYS 7 -4.296 16.182 0.755 58 HD3 LYS 7 HD1 LYS 7 -2.536 16.216 0.868 59 HE2 LYS 7 HE2 LYS 7 -3.295 18.112 -0.473 60 HE3 LYS 7 HE1 LYS 7 -2.433 16.972 -1.507 61 HZ1 LYS 7 HZ1 LYS 7 -5.383 17.035 -1.184 62 HZ2 LYS 7 HZ2 LYS 7 -4.496 16.084 -2.278 63 HZ3 LYS 7 HZ3 LYS 7 -4.547 17.772 -2.464 64 H ILE 8 HN ILE 8 -1.199 11.115 1.004 65 HA ILE 8 HA ILE 8 -2.250 8.831 2.280 66 HB ILE 8 HB ILE 8 0.203 10.492 2.906 67 HG12 ILE 8 HG12 ILE 8 -0.053 7.808 1.516 68 HG13 ILE 8 HG11 ILE 8 0.028 9.348 0.659 69 HG21 ILE 8 HG21 ILE 8 -0.258 9.271 4.917 70 HG22 ILE 8 HG22 ILE 8 1.000 8.380 4.070 71 HG23 ILE 8 HG23 ILE 8 -0.668 7.813 4.012 72 HD11 ILE 8 HD11 ILE 8 2.200 9.770 1.978 73 HD12 ILE 8 HD12 ILE 8 2.271 8.562 0.697 74 HD13 ILE 8 HD13 ILE 8 2.148 8.058 2.382 75 H VAL 9 HN VAL 9 -1.596 12.046 3.622 76 HA VAL 9 HA VAL 9 -2.453 11.443 6.298 77 HB VAL 9 HB VAL 9 -1.094 13.445 5.626 78 HG11 VAL 9 HG11 VAL 9 -2.626 13.892 3.608 79 HG12 VAL 9 HG12 VAL 9 -2.094 15.296 4.529 80 HG13 VAL 9 HG13 VAL 9 -3.723 14.656 4.757 81 HG21 VAL 9 HG21 VAL 9 -2.041 14.890 7.275 82 HG22 VAL 9 HG22 VAL 9 -2.466 13.256 7.783 83 HG23 VAL 9 HG23 VAL 9 -3.668 14.274 6.987 84 H ASP 10 HN ASP 10 -4.190 11.748 3.394 85 HA ASP 10 HA ASP 10 -6.721 12.542 4.751 86 HB2 ASP 10 HB2 ASP 10 -6.131 13.603 2.583 87 HB3 ASP 10 HB1 ASP 10 -6.138 12.016 1.817 88 H ILE 11 HN ILE 11 -5.033 9.769 4.443 89 HA ILE 11 HA ILE 11 -7.248 8.015 3.585 90 HB ILE 11 HB ILE 11 -4.439 7.436 4.572 91 HG12 ILE 11 HG12 ILE 11 -5.697 7.126 1.824 92 HG13 ILE 11 HG11 ILE 11 -4.686 8.487 2.304 93 HG21 ILE 11 HG21 ILE 11 -6.658 5.586 3.661 94 HG22 ILE 11 HG22 ILE 11 -5.795 5.553 5.198 95 HG23 ILE 11 HG23 ILE 11 -4.966 5.097 3.714 96 HD11 ILE 11 HD11 ILE 11 -3.906 5.588 2.012 97 HD12 ILE 11 HD12 ILE 11 -2.923 6.715 2.944 98 HD13 ILE 11 HD13 ILE 11 -3.194 6.993 1.223 99 H VAL 12 HN VAL 12 -8.754 7.343 5.017 100 HA VAL 12 HA VAL 12 -7.947 6.688 7.784 101 HB VAL 12 HB VAL 12 -9.880 7.985 8.722 102 HG11 VAL 12 HG11 VAL 12 -7.879 9.705 7.234 103 HG12 VAL 12 HG12 VAL 12 -7.490 8.797 8.694 104 HG13 VAL 12 HG13 VAL 12 -8.691 10.087 8.750 105 HG21 VAL 12 HG21 VAL 12 -9.867 9.313 5.992 106 HG22 VAL 12 HG22 VAL 12 -10.888 9.744 7.364 107 HG23 VAL 12 HG23 VAL 12 -11.114 8.197 6.548 108 H GLU 13 HN GLU 13 -9.373 5.729 5.052 109 HA GLU 13 HA GLU 13 -11.262 3.916 6.506 110 HB2 GLU 13 HB2 GLU 13 -12.495 5.743 5.285 111 HB3 GLU 13 HB1 GLU 13 -11.797 5.135 3.783 112 HG2 GLU 13 HG2 GLU 13 -13.973 4.130 4.006 113 HG3 GLU 13 HG1 GLU 13 -12.788 2.872 4.355 114 H ASN 14 HN ASN 14 -10.851 1.816 6.059 115 HA ASN 14 HA ASN 14 -8.819 1.157 4.033 116 HB2 ASN 14 HB2 ASN 14 -10.244 -0.462 6.155 117 HB3 ASN 14 HB1 ASN 14 -9.119 -1.168 5.002 118 HD21 ASN 14 HD21 ASN 14 -9.303 0.347 8.044 119 HD22 ASN 14 HD22 ASN 14 -7.658 0.720 8.226 120 H GLY 15 HN GLY 15 -9.186 -0.426 2.357 121 HA2 GLY 15 HA2 GLY 15 -10.472 -1.639 0.803 122 HA3 GLY 15 HA1 GLY 15 -11.888 -1.390 1.827 123 H GLN 16 HN GLN 16 -10.081 1.431 1.111 124 HA GLN 16 HA GLN 16 -12.289 2.386 -0.641 125 HB2 GLN 16 HB2 GLN 16 -11.693 3.789 1.282 126 HB3 GLN 16 HB1 GLN 16 -10.030 3.895 0.703 127 HG2 GLN 16 HG2 GLN 16 -10.714 5.077 -1.281 128 HG3 GLN 16 HG1 GLN 16 -12.418 4.788 -0.929 129 HE21 GLN 16 HE21 GLN 16 -10.007 7.118 -0.651 130 HE22 GLN 16 HE22 GLN 16 -10.681 8.043 0.602 131 H TRP 17 HN TRP 17 -11.870 3.333 -2.673 132 HA TRP 17 HA TRP 17 -9.351 2.397 -3.972 133 HB2 TRP 17 HB2 TRP 17 -12.071 3.175 -5.057 134 HB3 TRP 17 HB1 TRP 17 -10.675 2.878 -6.094 135 HD1 TRP 17 HD1 TRP 17 -13.325 1.129 -4.098 136 HE1 TRP 17 HE1 TRP 17 -13.032 -1.425 -4.312 137 HE3 TRP 17 HE3 TRP 17 -8.753 0.954 -6.364 138 HZ2 TRP 17 HZ2 TRP 17 -11.110 -3.294 -5.313 139 HZ3 TRP 17 HZ3 TRP 17 -7.715 -1.221 -6.936 140 HH2 TRP 17 HH2 TRP 17 -8.886 -3.344 -6.414 141 H ALA 18 HN ALA 18 -7.889 3.859 -4.675 142 HA ALA 18 HA ALA 18 -8.653 6.579 -5.403 143 HB1 ALA 18 HB1 ALA 18 -6.906 6.177 -2.959 144 HB2 ALA 18 HB2 ALA 18 -8.563 6.780 -2.944 145 HB3 ALA 18 HB3 ALA 18 -7.289 7.722 -3.716 146 H ASN 19 HN ASN 19 -6.437 7.886 -5.698 147 HA ASN 19 HA ASN 19 -4.470 6.018 -7.014 148 HB2 ASN 19 HB2 ASN 19 -5.103 8.886 -7.759 149 HB3 ASN 19 HB1 ASN 19 -4.040 7.782 -8.630 150 HD21 ASN 19 HD21 ASN 19 -7.468 8.144 -7.606 151 HD22 ASN 19 HD22 ASN 19 -8.106 7.251 -8.901 152 H LEU 20 HN LEU 20 -2.368 6.177 -6.242 153 HA LEU 20 HA LEU 20 -1.728 8.493 -4.454 154 HB2 LEU 20 HB2 LEU 20 -1.190 5.548 -4.255 155 HB3 LEU 20 HB1 LEU 20 0.021 6.646 -3.596 156 HG LEU 20 HG LEU 20 -1.684 5.932 -1.914 157 HD11 LEU 20 HD11 LEU 20 -1.521 7.952 -0.850 158 HD12 LEU 20 HD12 LEU 20 -2.275 8.833 -2.176 159 HD13 LEU 20 HD13 LEU 20 -0.562 8.430 -2.249 160 HD21 LEU 20 HD21 LEU 20 -3.536 6.023 -3.821 161 HD22 LEU 20 HD22 LEU 20 -3.703 7.695 -3.284 162 HD23 LEU 20 HD23 LEU 20 -3.967 6.377 -2.149 163 H LYS 21 HN LYS 21 0.261 9.430 -4.658 164 HA LYS 21 HA LYS 21 2.067 8.483 -6.830 165 HB2 LYS 21 HB2 LYS 21 0.479 10.388 -7.546 166 HB3 LYS 21 HB1 LYS 21 1.406 11.407 -6.447 167 HG2 LYS 21 HG2 LYS 21 3.469 10.904 -7.651 168 HG3 LYS 21 HG1 LYS 21 2.622 9.762 -8.688 169 HD2 LYS 21 HD2 LYS 21 2.704 11.682 -10.029 170 HD3 LYS 21 HD1 LYS 21 1.103 11.798 -9.301 171 HE2 LYS 21 HE2 LYS 21 2.329 13.957 -9.201 172 HE3 LYS 21 HE1 LYS 21 1.973 13.336 -7.592 173 HZ1 LYS 21 HZ1 LYS 21 4.416 12.268 -8.441 174 HZ2 LYS 21 HZ2 LYS 21 4.123 13.330 -7.148 175 HZ3 LYS 21 HZ3 LYS 21 4.465 13.944 -8.696 176 H ALA 22 HN ALA 22 4.126 8.514 -6.209 177 HA ALA 22 HA ALA 22 5.287 10.446 -4.420 178 HB1 ALA 22 HB1 ALA 22 5.727 8.705 -2.528 179 HB2 ALA 22 HB2 ALA 22 4.334 7.863 -3.211 180 HB3 ALA 22 HB3 ALA 22 4.155 9.503 -2.594 181 H LYS 23 HN LYS 23 7.324 9.292 -3.340 182 HA LYS 23 HA LYS 23 8.800 7.941 -5.596 183 HB2 LYS 23 HB2 LYS 23 9.547 10.249 -4.879 184 HB3 LYS 23 HB1 LYS 23 10.047 9.530 -3.349 185 HG2 LYS 23 HG2 LYS 23 11.372 7.840 -4.834 186 HG3 LYS 23 HG1 LYS 23 11.131 9.013 -6.124 187 HD2 LYS 23 HD2 LYS 23 12.369 9.670 -3.438 188 HD3 LYS 23 HD1 LYS 23 13.293 9.309 -4.893 189 HE2 LYS 23 HE2 LYS 23 12.062 11.181 -6.039 190 HE3 LYS 23 HE1 LYS 23 11.374 11.608 -4.476 191 HZ1 LYS 23 HZ1 LYS 23 14.241 11.573 -5.223 192 HZ2 LYS 23 HZ2 LYS 23 13.684 11.766 -3.630 193 HZ3 LYS 23 HZ3 LYS 23 13.302 12.925 -4.813 194 H VAL 24 HN VAL 24 10.252 6.217 -5.098 195 HA VAL 24 HA VAL 24 9.422 4.679 -2.725 196 HB VAL 24 HB VAL 24 11.286 4.075 -5.029 197 HG11 VAL 24 HG11 VAL 24 11.054 1.694 -4.153 198 HG12 VAL 24 HG12 VAL 24 10.399 2.393 -2.672 199 HG13 VAL 24 HG13 VAL 24 12.050 2.763 -3.167 200 HG21 VAL 24 HG21 VAL 24 9.464 2.604 -5.755 201 HG22 VAL 24 HG22 VAL 24 8.872 4.254 -5.573 202 HG23 VAL 24 HG23 VAL 24 8.519 3.049 -4.334 203 H ILE 25 HN ILE 25 10.358 5.728 -0.966 204 HA ILE 25 HA ILE 25 13.144 6.556 -0.915 205 HB ILE 25 HB ILE 25 11.390 6.007 1.485 206 HG12 ILE 25 HG12 ILE 25 10.081 7.407 0.020 207 HG13 ILE 25 HG11 ILE 25 10.767 8.446 1.267 208 HG21 ILE 25 HG21 ILE 25 13.763 6.470 1.939 209 HG22 ILE 25 HG22 ILE 25 12.757 7.815 2.476 210 HG23 ILE 25 HG23 ILE 25 13.667 7.942 0.972 211 HD11 ILE 25 HD11 ILE 25 11.154 9.630 -0.745 212 HD12 ILE 25 HD12 ILE 25 11.616 8.169 -1.616 213 HD13 ILE 25 HD13 ILE 25 12.701 8.855 -0.405 214 H GLN 26 HN GLN 26 11.436 3.585 -0.167 215 HA GLN 26 HA GLN 26 14.069 2.286 0.361 216 HB2 GLN 26 HB2 GLN 26 13.042 2.842 2.574 217 HB3 GLN 26 HB1 GLN 26 11.627 1.893 2.118 218 HG2 GLN 26 HG2 GLN 26 12.963 -0.123 1.937 219 HG3 GLN 26 HG1 GLN 26 14.446 0.791 2.217 220 HE21 GLN 26 HE21 GLN 26 13.716 -1.361 3.955 221 HE22 GLN 26 HE22 GLN 26 13.324 -0.716 5.475 222 H LEU 27 HN LEU 27 14.189 0.640 -1.065 223 HA LEU 27 HA LEU 27 11.666 -0.695 -1.943 224 HB2 LEU 27 HB2 LEU 27 12.952 0.368 -3.755 225 HB3 LEU 27 HB1 LEU 27 14.387 -0.546 -3.288 226 HG LEU 27 HG LEU 27 13.200 -2.654 -3.757 227 HD11 LEU 27 HD11 LEU 27 10.988 -2.251 -5.167 228 HD12 LEU 27 HD12 LEU 27 10.913 -0.760 -4.234 229 HD13 LEU 27 HD13 LEU 27 10.920 -2.319 -3.410 230 HD21 LEU 27 HD21 LEU 27 13.292 -0.568 -5.941 231 HD22 LEU 27 HD22 LEU 27 12.913 -2.260 -6.270 232 HD23 LEU 27 HD23 LEU 27 14.476 -1.826 -5.581 233 H TRP 28 HN TRP 28 11.533 -2.943 -1.816 234 HA TRP 28 HA TRP 28 13.873 -4.430 -0.733 235 HB2 TRP 28 HB2 TRP 28 12.359 -3.686 1.152 236 HB3 TRP 28 HB1 TRP 28 11.094 -4.676 0.428 237 HD1 TRP 28 HD1 TRP 28 11.061 -7.139 1.052 238 HE1 TRP 28 HE1 TRP 28 12.679 -8.750 2.248 239 HE3 TRP 28 HE3 TRP 28 15.141 -4.104 1.518 240 HZ2 TRP 28 HZ2 TRP 28 15.352 -8.750 3.267 241 HZ3 TRP 28 HZ3 TRP 28 17.208 -4.934 2.604 242 HH2 TRP 28 HH2 TRP 28 17.318 -7.252 3.478 243 H GLU 29 HN GLU 29 14.164 -5.811 -2.374 244 HA GLU 29 HA GLU 29 12.008 -6.875 -4.013 245 HB2 GLU 29 HB2 GLU 29 14.318 -6.602 -4.875 246 HB3 GLU 29 HB1 GLU 29 14.872 -7.839 -3.749 247 HG2 GLU 29 HG2 GLU 29 13.397 -9.494 -4.813 248 HG3 GLU 29 HG1 GLU 29 12.794 -8.260 -5.919 249 H ASN 30 HN ASN 30 10.609 -8.412 -3.292 250 HA ASN 30 HA ASN 30 11.514 -10.316 -1.167 251 HB2 ASN 30 HB2 ASN 30 9.409 -8.888 -0.886 252 HB3 ASN 30 HB1 ASN 30 8.688 -9.876 -2.157 253 HD21 ASN 30 HD21 ASN 30 7.827 -9.808 0.660 254 HD22 ASN 30 HD22 ASN 30 8.037 -11.376 1.271 255 H THR 31 HN THR 31 11.696 -12.468 -1.641 256 HA THR 31 HA THR 31 11.053 -13.331 -4.429 257 HB THR 31 HB THR 31 13.263 -13.953 -4.165 258 HG1 THR 31 HG1 THR 31 12.729 -15.965 -4.373 259 HG21 THR 31 HG21 THR 31 13.583 -12.948 -1.987 260 HG22 THR 31 HG22 THR 31 14.239 -14.585 -1.940 261 HG23 THR 31 HG23 THR 31 12.671 -14.241 -1.207 262 H HIS 32 HN HIS 32 9.427 -13.204 -1.701 263 HA HIS 32 HA HIS 32 8.647 -15.998 -1.331 264 HB2 HIS 32 HB2 HIS 32 7.588 -13.367 -0.278 265 HB3 HIS 32 HB1 HIS 32 6.838 -14.914 0.115 266 HD1 HIS 32 HD1 HIS 32 10.442 -13.611 0.072 267 HD2 HIS 32 HD2 HIS 32 7.883 -15.858 2.478 268 HE1 HIS 32 HE1 HIS 32 11.782 -14.276 2.117 269 H GLU 33 HN GLU 33 6.662 -16.935 -1.991 270 HA GLU 33 HA GLU 33 5.607 -16.003 -4.513 271 HB2 GLU 33 HB2 GLU 33 4.693 -18.152 -2.587 272 HB3 GLU 33 HB1 GLU 33 3.947 -17.877 -4.162 273 HG2 GLU 33 HG2 GLU 33 6.082 -18.289 -5.282 274 HG3 GLU 33 HG1 GLU 33 6.889 -18.467 -3.724 275 H SER 34 HN SER 34 4.367 -15.951 -1.171 276 HA SER 34 HA SER 34 1.784 -14.899 -1.814 277 HB2 SER 34 HB2 SER 34 2.054 -15.754 0.384 278 HB3 SER 34 HB1 SER 34 3.505 -14.796 0.664 279 HG SER 34 HG SER 34 0.935 -14.156 1.101 280 H ILE 35 HN ILE 35 4.766 -13.247 -0.716 281 HA ILE 35 HA ILE 35 3.628 -10.664 -1.695 282 HB ILE 35 HB ILE 35 5.933 -11.222 0.196 283 HG12 ILE 35 HG12 ILE 35 3.243 -9.945 0.760 284 HG13 ILE 35 HG11 ILE 35 3.552 -11.664 1.006 285 HG21 ILE 35 HG21 ILE 35 5.652 -8.695 0.575 286 HG22 ILE 35 HG22 ILE 35 4.716 -8.687 -0.920 287 HG23 ILE 35 HG23 ILE 35 6.409 -9.182 -0.942 288 HD11 ILE 35 HD11 ILE 35 3.867 -10.294 3.083 289 HD12 ILE 35 HD12 ILE 35 5.181 -9.444 2.272 290 HD13 ILE 35 HD13 ILE 35 5.319 -11.171 2.600 291 H SER 36 HN SER 36 4.572 -9.658 -3.375 292 HA SER 36 HA SER 36 6.880 -10.993 -4.699 293 HB2 SER 36 HB2 SER 36 5.085 -10.636 -6.206 294 HB3 SER 36 HB1 SER 36 4.787 -9.011 -5.597 295 HG SER 36 HG SER 36 6.601 -8.304 -6.597 296 H GLN 37 HN GLN 37 5.807 -7.688 -3.778 297 HA GLN 37 HA GLN 37 8.636 -7.010 -3.205 298 HB2 GLN 37 HB2 GLN 37 8.173 -6.495 -5.644 299 HB3 GLN 37 HB1 GLN 37 6.980 -5.319 -5.092 300 HG2 GLN 37 HG2 GLN 37 8.703 -4.126 -3.829 301 HG3 GLN 37 HG1 GLN 37 9.908 -5.316 -4.322 302 HE21 GLN 37 HE21 GLN 37 11.101 -4.699 -6.119 303 HE22 GLN 37 HE22 GLN 37 10.569 -3.634 -7.328 304 H VAL 38 HN VAL 38 8.840 -5.303 -1.758 305 HA VAL 38 HA VAL 38 6.405 -3.832 -0.900 306 HB VAL 38 HB VAL 38 6.527 -5.866 0.537 307 HG11 VAL 38 HG11 VAL 38 8.405 -6.321 1.913 308 HG12 VAL 38 HG12 VAL 38 9.108 -4.732 1.619 309 HG13 VAL 38 HG13 VAL 38 9.097 -5.943 0.336 310 HG21 VAL 38 HG21 VAL 38 5.647 -3.720 1.432 311 HG22 VAL 38 HG22 VAL 38 7.271 -3.294 1.970 312 HG23 VAL 38 HG23 VAL 38 6.438 -4.673 2.686 313 H GLY 39 HN GLY 39 6.951 -1.867 0.250 314 HA2 GLY 39 HA2 GLY 39 9.668 -1.187 0.896 315 HA3 GLY 39 HA1 GLY 39 9.244 -0.526 -0.682 316 H LEU 40 HN LEU 40 9.562 1.548 0.377 317 HA LEU 40 HA LEU 40 7.150 2.444 1.925 318 HB2 LEU 40 HB2 LEU 40 9.246 2.364 3.272 319 HB3 LEU 40 HB1 LEU 40 9.963 3.512 2.145 320 HG LEU 40 HG LEU 40 7.386 4.556 2.970 321 HD11 LEU 40 HD11 LEU 40 7.712 3.090 4.961 322 HD12 LEU 40 HD12 LEU 40 7.691 4.807 5.358 323 HD13 LEU 40 HD13 LEU 40 9.223 3.935 5.296 324 HD21 LEU 40 HD21 LEU 40 8.853 6.403 3.878 325 HD22 LEU 40 HD22 LEU 40 9.170 5.985 2.197 326 HD23 LEU 40 HD23 LEU 40 10.252 5.417 3.469 327 H LEU 41 HN LEU 41 6.277 4.456 1.333 328 HA LEU 41 HA LEU 41 7.326 5.597 -1.235 329 HB2 LEU 41 HB2 LEU 41 4.524 5.747 -0.095 330 HB3 LEU 41 HB1 LEU 41 5.043 6.294 -1.684 331 HG LEU 41 HG LEU 41 5.149 3.433 -0.695 332 HD11 LEU 41 HD11 LEU 41 3.380 4.649 -2.832 333 HD12 LEU 41 HD12 LEU 41 2.855 4.378 -1.171 334 HD13 LEU 41 HD13 LEU 41 3.304 3.010 -2.187 335 HD21 LEU 41 HD21 LEU 41 6.049 4.802 -3.230 336 HD22 LEU 41 HD22 LEU 41 5.526 3.119 -3.281 337 HD23 LEU 41 HD23 LEU 41 6.889 3.584 -2.268 338 H GLY 42 HN GLY 42 8.103 7.605 -1.133 339 HA2 GLY 42 HA2 GLY 42 7.731 9.193 1.346 340 HA3 GLY 42 HA1 GLY 42 8.972 9.462 0.129 341 H ASP 43 HN ASP 43 5.776 10.276 1.128 342 HA ASP 43 HA ASP 43 5.265 11.769 -1.411 343 HB2 ASP 43 HB2 ASP 43 3.479 10.271 -0.364 344 HB3 ASP 43 HB1 ASP 43 3.387 11.458 0.937 345 H GLU 44 HN GLU 44 4.456 14.005 -1.165 346 HA GLU 44 HA GLU 44 6.188 15.569 0.545 347 HB2 GLU 44 HB2 GLU 44 5.014 17.491 -0.450 348 HB3 GLU 44 HB1 GLU 44 5.462 16.326 -1.698 349 HG2 GLU 44 HG2 GLU 44 3.157 15.333 -1.501 350 HG3 GLU 44 HG1 GLU 44 2.737 16.663 -0.422 351 H THR 45 HN THR 45 2.986 14.259 0.864 352 HA THR 45 HA THR 45 2.312 16.105 3.089 353 HB THR 45 HB THR 45 0.116 15.265 2.931 354 HG1 THR 45 HG1 THR 45 0.188 13.215 1.335 355 HG21 THR 45 HG21 THR 45 1.251 14.941 0.137 356 HG22 THR 45 HG22 THR 45 0.812 16.482 0.877 357 HG23 THR 45 HG23 THR 45 -0.428 15.276 0.548 358 H GLY 46 HN GLY 46 3.734 13.015 2.557 359 HA2 GLY 46 HA2 GLY 46 4.558 12.571 5.165 360 HA3 GLY 46 HA1 GLY 46 2.955 11.838 5.102 361 H ILE 47 HN ILE 47 3.995 9.756 5.438 362 HA ILE 47 HA ILE 47 5.048 8.597 2.894 363 HB ILE 47 HB ILE 47 6.793 7.412 4.064 364 HG12 ILE 47 HG12 ILE 47 5.676 8.727 6.566 365 HG13 ILE 47 HG11 ILE 47 5.689 7.000 6.208 366 HG21 ILE 47 HG21 ILE 47 7.032 9.927 3.414 367 HG22 ILE 47 HG22 ILE 47 8.255 9.218 4.466 368 HG23 ILE 47 HG23 ILE 47 6.976 10.223 5.148 369 HD11 ILE 47 HD11 ILE 47 8.066 8.788 6.747 370 HD12 ILE 47 HD12 ILE 47 8.223 7.173 6.055 371 HD13 ILE 47 HD13 ILE 47 7.540 7.379 7.668 372 H ILE 48 HN ILE 48 4.882 6.188 2.887 373 HA ILE 48 HA ILE 48 3.242 4.915 4.922 374 HB ILE 48 HB ILE 48 1.533 6.182 3.635 375 HG12 ILE 48 HG12 ILE 48 1.324 3.215 3.092 376 HG13 ILE 48 HG11 ILE 48 1.140 3.904 4.707 377 HG21 ILE 48 HG21 ILE 48 2.832 6.031 1.462 378 HG22 ILE 48 HG22 ILE 48 1.111 5.683 1.326 379 HG23 ILE 48 HG23 ILE 48 2.280 4.362 1.337 380 HD11 ILE 48 HD11 ILE 48 -0.528 4.578 2.267 381 HD12 ILE 48 HD12 ILE 48 -0.668 5.382 3.830 382 HD13 ILE 48 HD13 ILE 48 -1.062 3.668 3.681 383 H LYS 49 HN LYS 49 3.116 2.638 4.600 384 HA LYS 49 HA LYS 49 5.195 1.594 2.742 385 HB2 LYS 49 HB2 LYS 49 3.755 0.388 5.114 386 HB3 LYS 49 HB1 LYS 49 4.877 -0.513 4.094 387 HG2 LYS 49 HG2 LYS 49 6.680 1.014 4.630 388 HG3 LYS 49 HG1 LYS 49 5.579 2.058 5.531 389 HD2 LYS 49 HD2 LYS 49 6.825 0.639 7.087 390 HD3 LYS 49 HD1 LYS 49 5.122 0.187 7.098 391 HE2 LYS 49 HE2 LYS 49 6.978 -1.241 5.210 392 HE3 LYS 49 HE1 LYS 49 6.985 -1.684 6.917 393 HZ1 LYS 49 HZ1 LYS 49 5.174 -2.483 4.988 394 HZ2 LYS 49 HZ2 LYS 49 4.330 -1.408 5.995 395 HZ3 LYS 49 HZ3 LYS 49 5.094 -2.772 6.658 396 H PHE 50 HN PHE 50 4.686 0.183 1.027 397 HA PHE 50 HA PHE 50 1.836 -0.700 0.817 398 HB2 PHE 50 HB2 PHE 50 1.750 -0.053 -1.462 399 HB3 PHE 50 HB1 PHE 50 2.472 1.325 -0.638 400 HD1 PHE 50 HD2 PHE 50 5.179 1.125 -0.411 401 HD2 PHE 50 HD1 PHE 50 2.777 -0.766 -3.432 402 HE1 PHE 50 HE2 PHE 50 7.165 0.951 -1.886 403 HE2 PHE 50 HE1 PHE 50 4.763 -0.934 -4.898 404 HZ PHE 50 HZ PHE 50 6.956 -0.086 -4.128 405 H THR 51 HN THR 51 1.583 -2.636 -0.460 406 HA THR 51 HA THR 51 4.092 -4.220 -0.872 407 HB THR 51 HB THR 51 1.509 -5.246 0.346 408 HG1 THR 51 HG1 THR 51 4.030 -4.560 1.433 409 HG21 THR 51 HG21 THR 51 4.186 -6.499 -0.284 410 HG22 THR 51 HG22 THR 51 2.598 -6.997 -0.870 411 HG23 THR 51 HG23 THR 51 3.027 -7.232 0.825 412 H ILE 52 HN ILE 52 4.163 -5.212 -2.808 413 HA ILE 52 HA ILE 52 1.765 -5.044 -4.571 414 HB ILE 52 HB ILE 52 4.665 -5.658 -5.198 415 HG12 ILE 52 HG12 ILE 52 3.030 -3.195 -5.861 416 HG13 ILE 52 HG11 ILE 52 4.071 -3.302 -4.444 417 HG21 ILE 52 HG21 ILE 52 3.844 -5.221 -7.567 418 HG22 ILE 52 HG22 ILE 52 2.203 -5.347 -6.930 419 HG23 ILE 52 HG23 ILE 52 3.294 -6.731 -6.842 420 HD11 ILE 52 HD11 ILE 52 5.255 -4.018 -7.106 421 HD12 ILE 52 HD12 ILE 52 6.015 -3.271 -5.700 422 HD13 ILE 52 HD13 ILE 52 4.973 -2.316 -6.751 423 H TRP 53 HN TRP 53 0.608 -6.847 -5.036 424 HA TRP 53 HA TRP 53 1.491 -9.426 -3.951 425 HB2 TRP 53 HB2 TRP 53 -1.005 -8.510 -5.398 426 HB3 TRP 53 HB1 TRP 53 -0.756 -10.171 -4.854 427 HD1 TRP 53 HD1 TRP 53 -1.755 -6.770 -3.648 428 HE1 TRP 53 HE1 TRP 53 -2.211 -6.843 -1.111 429 HE3 TRP 53 HE3 TRP 53 0.079 -11.407 -2.558 430 HZ2 TRP 53 HZ2 TRP 53 -1.846 -8.635 1.090 431 HZ3 TRP 53 HZ3 TRP 53 0.014 -12.272 -0.238 432 HH2 TRP 53 HH2 TRP 53 -0.946 -10.895 1.586 433 H LYS 54 HN LYS 54 2.029 -11.242 -5.166 434 HA LYS 54 HA LYS 54 3.299 -10.902 -7.676 435 HB2 LYS 54 HB2 LYS 54 3.463 -12.813 -5.899 436 HB3 LYS 54 HB1 LYS 54 2.110 -13.526 -6.774 437 HG2 LYS 54 HG2 LYS 54 3.402 -13.561 -8.837 438 HG3 LYS 54 HG1 LYS 54 4.728 -12.698 -8.061 439 HD2 LYS 54 HD2 LYS 54 5.379 -14.979 -8.030 440 HD3 LYS 54 HD1 LYS 54 4.829 -14.640 -6.395 441 HE2 LYS 54 HE2 LYS 54 2.729 -15.737 -6.776 442 HE3 LYS 54 HE1 LYS 54 3.013 -15.823 -8.514 443 HZ1 LYS 54 HZ1 LYS 54 3.595 -17.913 -7.844 444 HZ2 LYS 54 HZ2 LYS 54 4.211 -17.396 -6.348 445 HZ3 LYS 54 HZ3 LYS 54 5.103 -17.141 -7.771 446 H ASN 55 HN ASN 55 0.004 -11.849 -6.832 447 HA ASN 55 HA ASN 55 -0.855 -12.762 -9.374 448 HB2 ASN 55 HB2 ASN 55 -2.206 -13.032 -7.347 449 HB3 ASN 55 HB1 ASN 55 -2.412 -11.284 -7.232 450 HD21 ASN 55 HD21 ASN 55 -3.469 -14.174 -8.941 451 HD22 ASN 55 HD22 ASN 55 -4.693 -13.419 -9.841 452 H ALA 56 HN ALA 56 0.217 -9.677 -8.482 453 HA ALA 56 HA ALA 56 -1.468 -8.214 -10.408 454 HB1 ALA 56 HB1 ALA 56 1.011 -7.099 -9.096 455 HB2 ALA 56 HB2 ALA 56 -0.463 -7.326 -8.157 456 HB3 ALA 56 HB3 ALA 56 -0.470 -6.261 -9.562 457 H GLU 57 HN GLU 57 1.686 -9.702 -10.225 458 HA GLU 57 HA GLU 57 3.443 -9.854 -11.774 459 HB2 GLU 57 HB2 GLU 57 0.997 -9.946 -13.560 460 HB3 GLU 57 HB1 GLU 57 2.630 -10.345 -14.102 461 HG2 GLU 57 HG2 GLU 57 2.791 -12.112 -12.416 462 HG3 GLU 57 HG1 GLU 57 1.192 -11.693 -11.800 463 H LEU 58 HN LEU 58 3.241 -7.269 -10.980 464 HA LEU 58 HA LEU 58 3.206 -5.635 -13.463 465 HB2 LEU 58 HB2 LEU 58 3.375 -4.683 -10.599 466 HB3 LEU 58 HB1 LEU 58 3.069 -3.695 -12.028 467 HG LEU 58 HG LEU 58 1.280 -5.965 -11.120 468 HD11 LEU 58 HD11 LEU 58 1.161 -2.987 -10.635 469 HD12 LEU 58 HD12 LEU 58 1.097 -4.290 -9.446 470 HD13 LEU 58 HD13 LEU 58 -0.267 -4.017 -10.530 471 HD21 LEU 58 HD21 LEU 58 -0.326 -4.648 -12.681 472 HD22 LEU 58 HD22 LEU 58 0.916 -5.635 -13.441 473 HD23 LEU 58 HD23 LEU 58 1.133 -3.889 -13.315 474 HA PRO 59 HA PRO 59 7.637 -5.325 -13.691 475 HB2 PRO 59 HB2 PRO 59 7.342 -2.362 -13.935 476 HB3 PRO 59 HB1 PRO 59 8.127 -3.511 -15.035 477 HG2 PRO 59 HG2 PRO 59 5.751 -2.400 -15.595 478 HG3 PRO 59 HG1 PRO 59 6.161 -4.053 -16.088 479 HD2 PRO 59 HD2 PRO 59 4.346 -3.137 -13.896 480 HD3 PRO 59 HD1 PRO 59 4.272 -4.590 -14.916 481 H LEU 60 HN LEU 60 9.449 -4.790 -12.397 482 HA LEU 60 HA LEU 60 8.914 -4.167 -9.635 483 HB2 LEU 60 HB2 LEU 60 11.574 -4.217 -11.083 484 HB3 LEU 60 HB1 LEU 60 11.319 -4.380 -9.346 485 HG LEU 60 HG LEU 60 10.256 -6.292 -11.449 486 HD11 LEU 60 HD11 LEU 60 11.932 -7.851 -10.303 487 HD12 LEU 60 HD12 LEU 60 12.635 -6.402 -9.585 488 HD13 LEU 60 HD13 LEU 60 12.618 -6.598 -11.338 489 HD21 LEU 60 HD21 LEU 60 8.769 -6.460 -9.627 490 HD22 LEU 60 HD22 LEU 60 10.035 -6.140 -8.441 491 HD23 LEU 60 HD23 LEU 60 9.963 -7.702 -9.258 492 H LEU 61 HN LEU 61 9.227 -2.303 -8.508 493 HA LEU 61 HA LEU 61 9.341 0.196 -10.028 494 HB2 LEU 61 HB2 LEU 61 8.992 -0.503 -7.111 495 HB3 LEU 61 HB1 LEU 61 9.182 1.169 -7.641 496 HG LEU 61 HG LEU 61 7.255 0.890 -9.174 497 HD11 LEU 61 HD11 LEU 61 5.826 -1.233 -8.635 498 HD12 LEU 61 HD12 LEU 61 7.342 -1.909 -8.045 499 HD13 LEU 61 HD13 LEU 61 7.198 -1.399 -9.727 500 HD21 LEU 61 HD21 LEU 61 6.465 -0.033 -6.406 501 HD22 LEU 61 HD22 LEU 61 5.576 1.036 -7.490 502 HD23 LEU 61 HD23 LEU 61 7.053 1.602 -6.709 503 H GLU 62 HN GLU 62 10.999 1.740 -9.922 504 HA GLU 62 HA GLU 62 13.645 0.679 -9.094 505 HB2 GLU 62 HB2 GLU 62 12.832 3.113 -10.708 506 HB3 GLU 62 HB1 GLU 62 14.501 2.665 -10.346 507 HG2 GLU 62 HG2 GLU 62 14.213 0.521 -11.477 508 HG3 GLU 62 HG1 GLU 62 12.515 0.885 -11.783 509 H GLN 63 HN GLN 63 14.632 1.360 -7.280 510 HA GLN 63 HA GLN 63 13.321 3.113 -5.423 511 HB2 GLN 63 HB2 GLN 63 14.850 1.276 -4.752 512 HB3 GLN 63 HB1 GLN 63 16.202 2.191 -5.419 513 HG2 GLN 63 HG2 GLN 63 15.826 4.000 -3.859 514 HG3 GLN 63 HG1 GLN 63 14.344 3.251 -3.274 515 HE21 GLN 63 HE21 GLN 63 16.486 3.847 -1.481 516 HE22 GLN 63 HE22 GLN 63 17.151 2.386 -0.928 517 H GLY 64 HN GLY 64 13.571 5.291 -5.053 518 HA2 GLY 64 HA2 GLY 64 14.727 7.379 -5.079 519 HA3 GLY 64 HA1 GLY 64 15.857 6.731 -6.266 520 H GLU 65 HN GLU 65 13.123 5.689 -7.538 521 HA GLU 65 HA GLU 65 12.809 8.104 -9.249 522 HB2 GLU 65 HB2 GLU 65 12.062 5.194 -9.635 523 HB3 GLU 65 HB1 GLU 65 11.606 6.468 -10.765 524 HG2 GLU 65 HG2 GLU 65 13.618 5.642 -11.675 525 HG3 GLU 65 HG1 GLU 65 14.147 7.064 -10.784 526 H SER 66 HN SER 66 10.666 8.629 -10.006 527 HA SER 66 HA SER 66 8.668 8.506 -7.803 528 HB2 SER 66 HB2 SER 66 7.781 10.504 -8.624 529 HB3 SER 66 HB1 SER 66 9.487 10.689 -9.022 530 HG SER 66 HG SER 66 7.342 9.900 -10.688 531 H TYR 67 HN TYR 67 6.721 7.510 -8.062 532 HA TYR 67 HA TYR 67 5.998 6.459 -10.764 533 HB2 TYR 67 HB2 TYR 67 6.142 4.939 -8.155 534 HB3 TYR 67 HB1 TYR 67 5.176 4.376 -9.520 535 HD1 TYR 67 HD2 TYR 67 6.367 4.182 -11.812 536 HD2 TYR 67 HD1 TYR 67 8.451 4.444 -8.065 537 HE1 TYR 67 HE2 TYR 67 8.390 3.215 -12.870 538 HE2 TYR 67 HE1 TYR 67 10.473 3.476 -9.126 539 HH TYR 67 HH TYR 67 10.595 2.830 -12.606 540 H LEU 68 HN LEU 68 3.826 6.102 -11.062 541 HA LEU 68 HA LEU 68 2.000 7.563 -9.178 542 HB2 LEU 68 HB2 LEU 68 2.101 8.683 -11.314 543 HB3 LEU 68 HB1 LEU 68 1.811 7.176 -12.183 544 HG LEU 68 HG LEU 68 -0.429 7.025 -11.195 545 HD11 LEU 68 HD11 LEU 68 0.503 9.461 -9.683 546 HD12 LEU 68 HD12 LEU 68 -0.254 7.998 -9.052 547 HD13 LEU 68 HD13 LEU 68 -1.216 9.167 -9.949 548 HD21 LEU 68 HD21 LEU 68 -1.447 8.804 -12.422 549 HD22 LEU 68 HD22 LEU 68 0.046 8.411 -13.274 550 HD23 LEU 68 HD23 LEU 68 -0.027 9.833 -12.233 551 H LEU 69 HN LEU 69 0.362 6.395 -8.264 552 HA LEU 69 HA LEU 69 -0.052 3.592 -9.245 553 HB2 LEU 69 HB2 LEU 69 -0.631 4.748 -6.506 554 HB3 LEU 69 HB1 LEU 69 -0.682 3.052 -6.978 555 HG LEU 69 HG LEU 69 1.791 4.798 -7.025 556 HD11 LEU 69 HD11 LEU 69 0.918 2.593 -5.136 557 HD12 LEU 69 HD12 LEU 69 1.114 4.300 -4.739 558 HD13 LEU 69 HD13 LEU 69 2.523 3.323 -5.150 559 HD21 LEU 69 HD21 LEU 69 2.827 2.394 -7.260 560 HD22 LEU 69 HD22 LEU 69 2.153 3.175 -8.687 561 HD23 LEU 69 HD23 LEU 69 1.220 1.946 -7.832 562 H ARG 70 HN ARG 70 -1.936 3.309 -10.258 563 HA ARG 70 HA ARG 70 -4.262 5.065 -9.538 564 HB2 ARG 70 HB2 ARG 70 -3.487 3.809 -12.179 565 HB3 ARG 70 HB1 ARG 70 -5.060 4.549 -11.882 566 HG2 ARG 70 HG2 ARG 70 -3.997 6.686 -11.368 567 HG3 ARG 70 HG1 ARG 70 -2.405 5.956 -11.543 568 HD2 ARG 70 HD2 ARG 70 -2.997 7.158 -13.596 569 HD3 ARG 70 HD1 ARG 70 -2.921 5.424 -13.910 570 HE ARG 70 HE ARG 70 -5.601 6.178 -13.193 571 HH11 ARG 70 HH21 ARG 70 -3.242 6.353 -15.709 572 HH12 ARG 70 HH22 ARG 70 -4.416 6.431 -16.979 573 HH21 ARG 70 HH11 ARG 70 -7.138 6.277 -14.839 574 HH22 ARG 70 HH12 ARG 70 -6.620 6.388 -16.488 575 H SER 71 HN SER 71 -6.310 4.122 -9.456 576 HA SER 71 HA SER 71 -7.818 2.476 -8.790 577 HB2 SER 71 HB2 SER 71 -7.528 0.285 -10.182 578 HB3 SER 71 HB1 SER 71 -7.932 1.776 -11.023 579 HG SER 71 HG SER 71 -5.966 0.267 -11.594 580 H VAL 72 HN VAL 72 -6.047 2.667 -6.824 581 HA VAL 72 HA VAL 72 -5.177 -0.142 -6.215 582 HB VAL 72 HB VAL 72 -3.726 1.072 -4.446 583 HG11 VAL 72 HG11 VAL 72 -3.080 1.579 -7.365 584 HG12 VAL 72 HG12 VAL 72 -2.904 0.010 -6.577 585 HG13 VAL 72 HG13 VAL 72 -1.936 1.376 -6.038 586 HG21 VAL 72 HG21 VAL 72 -4.293 3.387 -6.331 587 HG22 VAL 72 HG22 VAL 72 -3.165 3.399 -4.976 588 HG23 VAL 72 HG23 VAL 72 -4.898 3.264 -4.678 589 H VAL 73 HN VAL 73 -5.312 -0.658 -3.864 590 HA VAL 73 HA VAL 73 -7.730 0.594 -2.606 591 HB VAL 73 HB VAL 73 -8.093 -1.699 -3.634 592 HG11 VAL 73 HG11 VAL 73 -5.794 -2.526 -2.906 593 HG12 VAL 73 HG12 VAL 73 -7.136 -3.625 -2.586 594 HG13 VAL 73 HG13 VAL 73 -6.454 -2.659 -1.276 595 HG21 VAL 73 HG21 VAL 73 -8.431 -1.356 -0.640 596 HG22 VAL 73 HG22 VAL 73 -9.289 -2.547 -1.620 597 HG23 VAL 73 HG23 VAL 73 -9.559 -0.824 -1.887 598 H VAL 74 HN VAL 74 -7.737 0.704 -0.347 599 HA VAL 74 HA VAL 74 -5.023 0.709 0.868 600 HB VAL 74 HB VAL 74 -7.686 1.830 1.785 601 HG11 VAL 74 HG11 VAL 74 -4.966 1.758 3.107 602 HG12 VAL 74 HG12 VAL 74 -6.510 1.245 3.782 603 HG13 VAL 74 HG13 VAL 74 -6.185 2.959 3.530 604 HG21 VAL 74 HG21 VAL 74 -6.393 2.919 -0.130 605 HG22 VAL 74 HG22 VAL 74 -5.120 3.254 1.043 606 HG23 VAL 74 HG23 VAL 74 -6.722 3.960 1.255 607 H GLY 75 HN GLY 75 -4.407 -0.779 2.393 608 HA2 GLY 75 HA2 GLY 75 -6.442 -2.789 3.268 609 HA3 GLY 75 HA1 GLY 75 -4.711 -3.091 3.133 610 H GLU 76 HN GLU 76 -6.498 -3.383 5.478 611 HA GLU 76 HA GLU 76 -5.623 -1.265 7.335 612 HB2 GLU 76 HB2 GLU 76 -6.865 -2.894 8.983 613 HB3 GLU 76 HB1 GLU 76 -7.810 -1.968 7.818 614 HG2 GLU 76 HG2 GLU 76 -7.995 -3.836 6.337 615 HG3 GLU 76 HG1 GLU 76 -6.791 -4.756 7.238 616 H TYR 77 HN TYR 77 -3.422 -1.501 7.672 617 HA TYR 77 HA TYR 77 -2.354 -4.192 8.379 618 HB2 TYR 77 HB2 TYR 77 -1.167 -2.786 6.687 619 HB3 TYR 77 HB1 TYR 77 -0.877 -1.578 7.937 620 HD1 TYR 77 HD2 TYR 77 -0.288 -5.158 7.052 621 HD2 TYR 77 HD1 TYR 77 0.930 -1.809 9.451 622 HE1 TYR 77 HE2 TYR 77 1.714 -6.419 7.796 623 HE2 TYR 77 HE1 TYR 77 2.932 -3.070 10.192 624 HH TYR 77 HH TYR 77 4.266 -4.891 9.631 625 H ASN 78 HN ASN 78 -2.916 -4.550 10.482 626 HA ASN 78 HA ASN 78 -3.112 -4.220 12.797 627 HB2 ASN 78 HB2 ASN 78 -0.389 -3.073 12.160 628 HB3 ASN 78 HB1 ASN 78 -0.966 -3.331 13.807 629 HD21 ASN 78 HD21 ASN 78 1.295 -4.771 12.732 630 HD22 ASN 78 HD22 ASN 78 0.864 -6.411 12.628 631 H ASP 79 HN ASP 79 -1.238 -1.585 13.471 632 HA ASP 79 HA ASP 79 -3.640 0.113 13.842 633 HB2 ASP 79 HB2 ASP 79 -2.062 1.517 15.200 634 HB3 ASP 79 HB1 ASP 79 -2.193 -0.147 15.774 635 H ARG 80 HN ARG 80 -1.190 -0.272 11.567 636 HA ARG 80 HA ARG 80 -1.320 2.607 10.732 637 HB2 ARG 80 HB2 ARG 80 0.716 0.447 10.129 638 HB3 ARG 80 HB1 ARG 80 0.708 2.035 9.360 639 HG2 ARG 80 HG2 ARG 80 0.887 3.114 11.569 640 HG3 ARG 80 HG1 ARG 80 0.897 1.530 12.344 641 HD2 ARG 80 HD2 ARG 80 2.946 0.938 11.092 642 HD3 ARG 80 HD1 ARG 80 2.952 2.541 10.357 643 HE ARG 80 HE ARG 80 3.688 1.904 13.132 644 HH11 ARG 80 HH21 ARG 80 2.756 4.268 10.789 645 HH12 ARG 80 HH22 ARG 80 3.401 5.598 11.689 646 HH21 ARG 80 HH11 ARG 80 4.531 3.632 14.309 647 HH22 ARG 80 HH12 ARG 80 4.403 5.240 13.679 648 H PHE 81 HN PHE 81 -1.599 3.061 8.487 649 HA PHE 81 HA PHE 81 -3.310 1.057 7.110 650 HB2 PHE 81 HB2 PHE 81 -2.780 3.981 6.491 651 HB3 PHE 81 HB1 PHE 81 -3.959 2.952 5.675 652 HD1 PHE 81 HD1 PHE 81 -5.931 2.074 6.910 653 HD2 PHE 81 HD2 PHE 81 -3.203 4.872 8.692 654 HE1 PHE 81 HE1 PHE 81 -7.594 2.566 8.682 655 HE2 PHE 81 HE2 PHE 81 -4.867 5.365 10.463 656 HZ PHE 81 HZ PHE 81 -7.063 4.212 10.458 657 H GLN 82 HN GLN 82 -2.875 0.511 4.868 658 HA GLN 82 HA GLN 82 -0.200 1.262 3.808 659 HB2 GLN 82 HB2 GLN 82 -1.130 -1.566 4.376 660 HB3 GLN 82 HB1 GLN 82 0.185 -1.197 3.260 661 HG2 GLN 82 HG2 GLN 82 1.413 -0.053 5.049 662 HG3 GLN 82 HG1 GLN 82 0.093 -0.365 6.175 663 HE21 GLN 82 HE21 GLN 82 0.195 -3.063 4.224 664 HE22 GLN 82 HE22 GLN 82 1.230 -4.036 5.153 665 H VAL 83 HN VAL 83 -0.004 0.717 1.504 666 HA VAL 83 HA VAL 83 -2.684 0.706 0.160 667 HB VAL 83 HB VAL 83 -0.060 1.378 -1.180 668 HG11 VAL 83 HG11 VAL 83 -1.450 2.564 -2.715 669 HG12 VAL 83 HG12 VAL 83 -2.836 2.493 -1.624 670 HG13 VAL 83 HG13 VAL 83 -2.266 1.027 -2.426 671 HG21 VAL 83 HG21 VAL 83 -0.122 2.789 0.799 672 HG22 VAL 83 HG22 VAL 83 -1.807 3.206 0.490 673 HG23 VAL 83 HG23 VAL 83 -0.546 3.766 -0.606 674 H GLN 84 HN GLN 84 -3.261 -1.105 -0.908 675 HA GLN 84 HA GLN 84 -1.182 -3.191 -1.435 676 HB2 GLN 84 HB2 GLN 84 -4.206 -3.423 -1.447 677 HB3 GLN 84 HB1 GLN 84 -3.055 -4.753 -1.569 678 HG2 GLN 84 HG2 GLN 84 -3.311 -2.866 0.790 679 HG3 GLN 84 HG1 GLN 84 -3.917 -4.522 0.737 680 HE21 GLN 84 HE21 GLN 84 -1.407 -2.812 1.962 681 HE22 GLN 84 HE22 GLN 84 -0.180 -3.982 1.895 682 H VAL 85 HN VAL 85 -0.551 -3.525 -3.492 683 HA VAL 85 HA VAL 85 -2.132 -2.282 -5.700 684 HB VAL 85 HB VAL 85 0.695 -3.367 -5.770 685 HG11 VAL 85 HG11 VAL 85 0.852 -2.061 -7.822 686 HG12 VAL 85 HG12 VAL 85 -0.778 -1.433 -7.578 687 HG13 VAL 85 HG13 VAL 85 -0.534 -3.143 -7.934 688 HG21 VAL 85 HG21 VAL 85 0.450 -1.505 -4.130 689 HG22 VAL 85 HG22 VAL 85 -0.255 -0.509 -5.402 690 HG23 VAL 85 HG23 VAL 85 1.423 -1.038 -5.524 691 H ASN 86 HN ASN 86 -3.134 -3.589 -7.166 692 HA ASN 86 HA ASN 86 -2.468 -6.515 -7.165 693 HB2 ASN 86 HB2 ASN 86 -5.185 -5.175 -7.300 694 HB3 ASN 86 HB1 ASN 86 -4.911 -6.886 -7.625 695 HD21 ASN 86 HD21 ASN 86 -6.275 -5.277 -5.294 696 HD22 ASN 86 HD22 ASN 86 -5.634 -6.014 -3.907 697 H LYS 87 HN LYS 87 -4.050 -7.319 -9.199 698 HA LYS 87 HA LYS 87 -2.600 -6.498 -11.518 699 HB2 LYS 87 HB2 LYS 87 -3.686 -8.725 -11.218 700 HB3 LYS 87 HB1 LYS 87 -5.258 -7.945 -11.356 701 HG2 LYS 87 HG2 LYS 87 -4.728 -8.852 -13.519 702 HG3 LYS 87 HG1 LYS 87 -4.546 -7.105 -13.637 703 HD2 LYS 87 HD2 LYS 87 -2.178 -7.233 -13.614 704 HD3 LYS 87 HD1 LYS 87 -2.187 -8.882 -12.989 705 HE2 LYS 87 HE2 LYS 87 -3.124 -9.692 -15.101 706 HE3 LYS 87 HE1 LYS 87 -3.194 -8.042 -15.718 707 HZ1 LYS 87 HZ1 LYS 87 -1.220 -9.182 -16.502 708 HZ2 LYS 87 HZ2 LYS 87 -0.731 -9.485 -14.903 709 HZ3 LYS 87 HZ3 LYS 87 -0.795 -7.891 -15.488 710 H ASN 88 HN ASN 88 -5.859 -5.689 -10.343 711 HA ASN 88 HA ASN 88 -6.642 -4.165 -12.631 712 HB2 ASN 88 HB2 ASN 88 -8.052 -5.023 -10.604 713 HB3 ASN 88 HB1 ASN 88 -7.567 -3.516 -9.828 714 HD21 ASN 88 HD21 ASN 88 -10.266 -4.482 -10.976 715 HD22 ASN 88 HD22 ASN 88 -10.749 -3.217 -11.999 716 H SER 89 HN SER 89 -4.306 -3.544 -10.253 717 HA SER 89 HA SER 89 -4.545 -0.614 -10.348 718 HB2 SER 89 HB2 SER 89 -3.735 -1.738 -8.302 719 HB3 SER 89 HB1 SER 89 -2.350 -2.360 -9.197 720 HG SER 89 HG SER 89 -1.500 -0.397 -9.270 721 H SER 90 HN SER 90 -2.633 0.715 -11.052 722 HA SER 90 HA SER 90 -1.055 -0.552 -13.254 723 HB2 SER 90 HB2 SER 90 -2.742 1.956 -13.405 724 HB3 SER 90 HB1 SER 90 -1.470 1.584 -14.567 725 HG SER 90 HG SER 90 -2.938 -0.592 -14.238 726 H ILE 91 HN ILE 91 0.921 0.704 -13.771 727 HA ILE 91 HA ILE 91 1.690 2.690 -11.687 728 HB ILE 91 HB ILE 91 3.320 0.312 -12.625 729 HG12 ILE 91 HG12 ILE 91 2.399 1.048 -9.833 730 HG13 ILE 91 HG11 ILE 91 1.511 -0.063 -10.875 731 HG21 ILE 91 HG21 ILE 91 3.994 2.726 -10.930 732 HG22 ILE 91 HG22 ILE 91 4.823 2.151 -12.376 733 HG23 ILE 91 HG23 ILE 91 4.940 1.238 -10.873 734 HD11 ILE 91 HD11 ILE 91 3.218 -1.069 -9.202 735 HD12 ILE 91 HD12 ILE 91 4.443 -0.482 -10.326 736 HD13 ILE 91 HD13 ILE 91 3.243 -1.655 -10.865 737 H GLU 92 HN GLU 92 2.533 4.484 -12.648 738 HA GLU 92 HA GLU 92 3.766 4.217 -15.369 739 HB2 GLU 92 HB2 GLU 92 1.476 5.190 -15.515 740 HB3 GLU 92 HB1 GLU 92 1.981 6.479 -14.421 741 HG2 GLU 92 HG2 GLU 92 3.712 7.180 -16.014 742 HG3 GLU 92 HG1 GLU 92 3.266 5.863 -17.098 743 H LYS 93 HN LYS 93 5.710 5.184 -15.536 744 HA LYS 93 HA LYS 93 6.897 6.412 -13.162 745 HB2 LYS 93 HB2 LYS 93 8.180 4.893 -14.658 746 HB3 LYS 93 HB1 LYS 93 8.030 6.079 -15.955 747 HG2 LYS 93 HG2 LYS 93 9.264 7.727 -14.650 748 HG3 LYS 93 HG1 LYS 93 9.330 6.627 -13.271 749 HD2 LYS 93 HD2 LYS 93 10.612 5.007 -14.636 750 HD3 LYS 93 HD1 LYS 93 10.574 6.131 -15.993 751 HE2 LYS 93 HE2 LYS 93 11.761 6.789 -13.283 752 HE3 LYS 93 HE1 LYS 93 12.704 6.235 -14.667 753 HZ1 LYS 93 HZ1 LYS 93 10.903 8.566 -14.869 754 HZ2 LYS 93 HZ2 LYS 93 12.214 8.147 -15.866 755 HZ3 LYS 93 HZ3 LYS 93 12.490 8.731 -14.294 756 H LEU 94 HN LEU 94 7.209 8.583 -12.819 757 HA LEU 94 HA LEU 94 6.205 10.463 -14.931 758 HB2 LEU 94 HB2 LEU 94 6.174 10.475 -11.934 759 HB3 LEU 94 HB1 LEU 94 6.191 12.024 -12.773 760 HG LEU 94 HG LEU 94 3.883 11.133 -12.244 761 HD11 LEU 94 HD11 LEU 94 4.021 11.202 -15.235 762 HD12 LEU 94 HD12 LEU 94 4.658 12.603 -14.377 763 HD13 LEU 94 HD13 LEU 94 2.988 12.106 -14.131 764 HD21 LEU 94 HD21 LEU 94 4.647 8.713 -12.818 765 HD22 LEU 94 HD22 LEU 94 4.339 9.169 -14.494 766 HD23 LEU 94 HD23 LEU 94 3.032 9.207 -13.324 767 H SER 95 HN SER 95 9.020 9.270 -13.715 768 HA SER 95 HA SER 95 11.221 10.091 -13.642 769 HB2 SER 95 HB2 SER 95 10.987 10.111 -16.026 770 HB3 SER 95 HB1 SER 95 9.989 11.562 -15.980 771 HG SER 95 HG SER 95 12.150 12.038 -16.540 772 H GLU 96 HN GLU 96 8.899 11.739 -12.276 773 HA GLU 96 HA GLU 96 10.447 14.282 -11.951 774 HB2 GLU 96 HB2 GLU 96 8.085 14.417 -12.852 775 HB3 GLU 96 HB1 GLU 96 7.533 13.805 -11.291 776 HG2 GLU 96 HG2 GLU 96 7.426 16.184 -11.111 777 HG3 GLU 96 HG1 GLU 96 8.883 15.713 -10.236 778 HA PRO 97 HA PRO 97 11.183 11.934 -8.027 779 HB2 PRO 97 HB2 PRO 97 13.051 14.253 -7.708 780 HB3 PRO 97 HB1 PRO 97 13.353 12.523 -7.456 781 HG2 PRO 97 HG2 PRO 97 14.277 13.792 -9.610 782 HG3 PRO 97 HG1 PRO 97 13.693 12.120 -9.702 783 HD2 PRO 97 HD2 PRO 97 12.358 14.633 -10.638 784 HD3 PRO 97 HD1 PRO 97 12.294 12.996 -11.322 785 H ILE 98 HN ILE 98 10.502 12.382 -5.915 786 HA ILE 98 HA ILE 98 9.034 14.968 -5.541 787 HB ILE 98 HB ILE 98 8.719 12.406 -3.955 788 HG12 ILE 98 HG12 ILE 98 8.193 11.921 -6.282 789 HG13 ILE 98 HG11 ILE 98 6.682 12.071 -5.388 790 HG21 ILE 98 HG21 ILE 98 7.041 14.907 -4.298 791 HG22 ILE 98 HG22 ILE 98 7.882 14.401 -2.833 792 HG23 ILE 98 HG23 ILE 98 6.508 13.469 -3.428 793 HD11 ILE 98 HD11 ILE 98 6.280 13.346 -7.322 794 HD12 ILE 98 HD12 ILE 98 7.916 14.002 -7.346 795 HD13 ILE 98 HD13 ILE 98 6.753 14.571 -6.148 796 H GLU 99 HN GLU 99 9.519 16.282 -3.788 797 HA GLU 99 HA GLU 99 12.028 15.630 -2.354 798 HB2 GLU 99 HB2 GLU 99 11.781 17.847 -3.441 799 HB3 GLU 99 HB1 GLU 99 10.385 18.180 -2.417 800 HG2 GLU 99 HG2 GLU 99 11.777 18.005 -0.410 801 HG3 GLU 99 HG1 GLU 99 13.178 17.587 -1.397 802 H VAL 100 HN VAL 100 11.927 14.785 -0.372 803 HA VAL 100 HA VAL 100 9.397 14.988 1.201 804 HB VAL 100 HB VAL 100 10.364 13.110 2.512 805 HG11 VAL 100 HG11 VAL 100 10.233 11.410 0.746 806 HG12 VAL 100 HG12 VAL 100 10.487 12.646 -0.485 807 HG13 VAL 100 HG13 VAL 100 9.008 12.651 0.476 808 HG21 VAL 100 HG21 VAL 100 12.658 13.426 0.549 809 HG22 VAL 100 HG22 VAL 100 12.454 12.039 1.616 810 HG23 VAL 100 HG23 VAL 100 12.733 13.641 2.298 811 H GLY 101 HN GLY 101 12.386 16.437 0.866 812 HA2 GLY 101 HA2 GLY 101 12.281 18.310 2.834 813 HA3 GLY 101 HA1 GLY 101 12.915 16.920 3.718 814 H LEU 102 HN LEU 102 15.036 16.215 3.286 815 HA LEU 102 HA LEU 102 17.286 16.497 2.687 816 HB2 LEU 102 HB2 LEU 102 16.084 17.563 0.114 817 HB3 LEU 102 HB1 LEU 102 17.714 16.927 0.328 818 HG LEU 102 HG LEU 102 15.161 15.352 0.771 819 HD11 LEU 102 HD11 LEU 102 15.697 14.203 -1.291 820 HD12 LEU 102 HD12 LEU 102 17.205 15.101 -1.453 821 HD13 LEU 102 HD13 LEU 102 15.659 15.935 -1.620 822 HD21 LEU 102 HD21 LEU 102 18.094 14.736 1.112 823 HD22 LEU 102 HD22 LEU 102 16.986 13.444 0.651 824 HD23 LEU 102 HD23 LEU 102 16.739 14.314 2.160 825 H GLU 103 HN GLU 103 15.326 18.935 3.407 826 HA GLU 103 HA GLU 103 15.571 21.245 3.749 827 HB2 GLU 103 HB2 GLU 103 18.346 20.181 4.332 828 HB3 GLU 103 HB1 GLU 103 17.804 21.807 4.751 829 HG2 GLU 103 HG2 GLU 103 16.019 20.893 6.146 830 HG3 GLU 103 HG1 GLU 103 16.462 19.252 5.677 831 H HIS 104 HN HIS 104 17.536 23.041 3.351 832 HA HIS 104 HA HIS 104 18.634 22.791 0.628 833 HB2 HIS 104 HB2 HIS 104 17.511 24.946 -0.071 834 HB3 HIS 104 HB1 HIS 104 16.409 23.580 0.095 835 HD1 HIS 104 HD1 HIS 104 17.309 26.863 1.638 836 HD2 HIS 104 HD2 HIS 104 14.658 23.729 2.364 837 HE1 HIS 104 HE1 HIS 104 15.675 27.697 3.384 838 H HIS 105 HN HIS 105 20.593 23.782 0.655 839 HA HIS 105 HA HIS 105 21.029 26.233 2.234 840 HB2 HIS 105 HB2 HIS 105 21.411 24.296 3.821 841 HB3 HIS 105 HB1 HIS 105 22.715 23.765 2.758 842 HD1 HIS 105 HD1 HIS 105 21.698 26.916 4.661 843 HD2 HIS 105 HD2 HIS 105 25.136 24.961 3.343 844 HE1 HIS 105 HE1 HIS 105 23.663 28.239 5.559 845 H HIS 106 HN HIS 106 21.142 25.181 -0.606 846 HA HIS 106 HA HIS 106 22.571 25.270 -2.469 847 HB2 HIS 106 HB2 HIS 106 22.387 27.675 -1.815 848 HB3 HIS 106 HB1 HIS 106 23.842 27.487 -0.834 849 HD1 HIS 106 HD1 HIS 106 26.095 27.318 -2.056 850 HD2 HIS 106 HD2 HIS 106 22.842 27.525 -4.655 851 HE1 HIS 106 HE1 HIS 106 27.051 27.690 -4.371 852 H HIS 107 HN HIS 107 23.470 23.153 -1.793 853 HA HIS 107 HA HIS 107 25.987 23.078 -0.323 854 HB2 HIS 107 HB2 HIS 107 24.587 20.980 -2.008 855 HB3 HIS 107 HB1 HIS 107 25.973 20.679 -0.959 856 HD1 HIS 107 HD1 HIS 107 25.555 21.272 1.664 857 HD2 HIS 107 HD2 HIS 107 22.144 20.876 -0.698 858 HE1 HIS 107 HE1 HIS 107 23.611 20.964 3.259 859 H HIS 108 HN HIS 108 28.054 22.958 -1.182 860 HA HIS 108 HA HIS 108 28.438 23.870 -3.910 861 HB2 HIS 108 HB2 HIS 108 30.829 23.682 -3.407 862 HB3 HIS 108 HB1 HIS 108 29.993 24.449 -2.056 863 HD1 HIS 108 HD1 HIS 108 29.643 23.017 0.109 864 HD2 HIS 108 HD2 HIS 108 31.908 21.128 -2.837 865 HE1 HIS 108 HE1 HIS 108 30.727 21.012 1.214 866 H HIS 109 HN HIS 109 29.000 22.674 -5.702 867 HA HIS 109 HA HIS 109 28.496 19.803 -5.625 868 HB2 HIS 109 HB2 HIS 109 28.875 19.908 -8.044 869 HB3 HIS 109 HB1 HIS 109 27.832 21.241 -7.547 870 HD1 HIS 109 HD1 HIS 109 28.931 23.636 -7.417 871 HD2 HIS 109 HD2 HIS 109 31.385 20.696 -9.064 872 HE1 HIS 109 HE1 HIS 109 30.847 24.850 -8.544 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -10.784 14.837 -17.405 2 H2 MET 1 HT2 MET 1 -12.204 14.299 -18.167 3 H3 MET 1 HT3 MET 1 -10.749 13.449 -18.381 4 HA MET 1 HA MET 1 -12.219 13.731 -15.817 5 HB2 MET 1 HB2 MET 1 -11.866 11.378 -17.706 6 HB3 MET 1 HB1 MET 1 -12.641 11.300 -16.123 7 HG2 MET 1 HG2 MET 1 -13.561 13.057 -18.417 8 HG3 MET 1 HG1 MET 1 -14.296 11.518 -17.976 9 HE1 MET 1 HE1 MET 1 -14.311 11.763 -14.521 10 HE2 MET 1 HE2 MET 1 -15.047 10.893 -15.865 11 HE3 MET 1 HE3 MET 1 -16.050 11.899 -14.822 12 H GLU 2 HN GLU 2 -10.384 14.249 -14.608 13 HA GLU 2 HA GLU 2 -7.955 12.589 -14.879 14 HB2 GLU 2 HB2 GLU 2 -7.382 14.228 -12.791 15 HB3 GLU 2 HB1 GLU 2 -7.235 14.754 -14.466 16 HG2 GLU 2 HG2 GLU 2 -9.834 15.051 -12.956 17 HG3 GLU 2 HG1 GLU 2 -8.565 16.271 -12.846 18 HA PRO 3 HA PRO 3 -8.951 9.874 -11.526 19 HB2 PRO 3 HB2 PRO 3 -6.485 9.436 -10.393 20 HB3 PRO 3 HB1 PRO 3 -6.971 8.750 -11.957 21 HG2 PRO 3 HG2 PRO 3 -5.305 11.168 -11.391 22 HG3 PRO 3 HG1 PRO 3 -5.071 9.898 -12.606 23 HD2 PRO 3 HD2 PRO 3 -6.140 12.321 -13.236 24 HD3 PRO 3 HD1 PRO 3 -6.612 10.830 -14.078 25 H GLN 4 HN GLN 4 -9.137 9.755 -9.181 26 HA GLN 4 HA GLN 4 -9.229 12.402 -7.929 27 HB2 GLN 4 HB2 GLN 4 -11.021 10.716 -7.574 28 HB3 GLN 4 HB1 GLN 4 -9.852 9.663 -6.777 29 HG2 GLN 4 HG2 GLN 4 -9.460 11.376 -5.055 30 HG3 GLN 4 HG1 GLN 4 -10.595 12.459 -5.863 31 HE21 GLN 4 HE21 GLN 4 -11.012 11.549 -3.160 32 HE22 GLN 4 HE22 GLN 4 -12.391 10.559 -3.146 33 H LEU 5 HN LEU 5 -7.469 13.247 -6.949 34 HA LEU 5 HA LEU 5 -5.253 11.488 -6.110 35 HB2 LEU 5 HB2 LEU 5 -5.654 14.462 -6.389 36 HB3 LEU 5 HB1 LEU 5 -4.296 13.856 -5.447 37 HG LEU 5 HG LEU 5 -3.792 14.319 -7.893 38 HD11 LEU 5 HD11 LEU 5 -2.685 12.474 -6.293 39 HD12 LEU 5 HD12 LEU 5 -2.242 12.611 -7.990 40 HD13 LEU 5 HD13 LEU 5 -3.387 11.375 -7.480 41 HD21 LEU 5 HD21 LEU 5 -6.074 13.386 -8.606 42 HD22 LEU 5 HD22 LEU 5 -5.359 11.786 -8.403 43 HD23 LEU 5 HD23 LEU 5 -4.688 12.907 -9.588 44 H THR 6 HN THR 6 -4.948 10.823 -4.084 45 HA THR 6 HA THR 6 -6.393 12.232 -1.852 46 HB THR 6 HB THR 6 -5.876 9.257 -2.128 47 HG1 THR 6 HG1 THR 6 -8.299 10.727 -2.221 48 HG21 THR 6 HG21 THR 6 -7.384 9.167 -0.126 49 HG22 THR 6 HG22 THR 6 -7.299 10.926 -0.040 50 HG23 THR 6 HG23 THR 6 -5.841 9.960 0.192 51 H LYS 7 HN LYS 7 -5.219 12.461 0.071 52 HA LYS 7 HA LYS 7 -2.285 12.072 -0.217 53 HB2 LYS 7 HB2 LYS 7 -3.832 13.575 1.919 54 HB3 LYS 7 HB1 LYS 7 -2.099 13.647 1.616 55 HG2 LYS 7 HG2 LYS 7 -2.679 15.518 0.392 56 HG3 LYS 7 HG1 LYS 7 -2.998 14.326 -0.866 57 HD2 LYS 7 HD2 LYS 7 -5.375 14.244 -0.187 58 HD3 LYS 7 HD1 LYS 7 -5.052 15.423 1.083 59 HE2 LYS 7 HE2 LYS 7 -4.342 17.062 -0.616 60 HE3 LYS 7 HE1 LYS 7 -4.668 15.885 -1.888 61 HZ1 LYS 7 HZ1 LYS 7 -6.991 15.796 -1.033 62 HZ2 LYS 7 HZ2 LYS 7 -6.550 17.290 -1.710 63 HZ3 LYS 7 HZ3 LYS 7 -6.623 17.107 -0.023 64 H ILE 8 HN ILE 8 -1.114 10.817 1.203 65 HA ILE 8 HA ILE 8 -2.249 8.569 2.429 66 HB ILE 8 HB ILE 8 -0.058 8.622 3.838 67 HG12 ILE 8 HG12 ILE 8 0.534 10.876 1.904 68 HG13 ILE 8 HG11 ILE 8 0.147 11.134 3.603 69 HG21 ILE 8 HG21 ILE 8 0.006 8.738 0.808 70 HG22 ILE 8 HG22 ILE 8 -0.280 7.302 1.792 71 HG23 ILE 8 HG23 ILE 8 1.299 8.091 1.819 72 HD11 ILE 8 HD11 ILE 8 2.546 11.087 3.399 73 HD12 ILE 8 HD12 ILE 8 2.489 9.580 2.485 74 HD13 ILE 8 HD13 ILE 8 2.048 9.595 4.193 75 H VAL 9 HN VAL 9 -1.569 11.737 3.817 76 HA VAL 9 HA VAL 9 -2.329 11.029 6.517 77 HB VAL 9 HB VAL 9 -0.898 12.999 5.899 78 HG11 VAL 9 HG11 VAL 9 -2.460 13.603 3.941 79 HG12 VAL 9 HG12 VAL 9 -1.834 14.939 4.907 80 HG13 VAL 9 HG13 VAL 9 -3.486 14.370 5.153 81 HG21 VAL 9 HG21 VAL 9 -2.219 12.767 8.079 82 HG22 VAL 9 HG22 VAL 9 -3.404 13.861 7.364 83 HG23 VAL 9 HG23 VAL 9 -1.749 14.408 7.635 84 H ASP 10 HN ASP 10 -4.113 11.527 3.678 85 HA ASP 10 HA ASP 10 -6.582 12.370 5.116 86 HB2 ASP 10 HB2 ASP 10 -5.955 13.468 2.955 87 HB3 ASP 10 HB1 ASP 10 -6.124 11.906 2.154 88 H ILE 11 HN ILE 11 -5.030 9.544 4.679 89 HA ILE 11 HA ILE 11 -7.334 7.924 3.787 90 HB ILE 11 HB ILE 11 -4.552 7.164 4.723 91 HG12 ILE 11 HG12 ILE 11 -5.835 7.043 1.975 92 HG13 ILE 11 HG11 ILE 11 -4.768 8.339 2.514 93 HG21 ILE 11 HG21 ILE 11 -6.005 5.324 5.264 94 HG22 ILE 11 HG22 ILE 11 -5.200 4.901 3.758 95 HG23 ILE 11 HG23 ILE 11 -6.865 5.476 3.732 96 HD11 ILE 11 HD11 ILE 11 -3.352 6.831 1.343 97 HD12 ILE 11 HD12 ILE 11 -4.096 5.424 2.100 98 HD13 ILE 11 HD13 ILE 11 -3.063 6.489 3.051 99 H VAL 12 HN VAL 12 -8.836 7.184 5.202 100 HA VAL 12 HA VAL 12 -8.021 6.435 7.944 101 HB VAL 12 HB VAL 12 -9.949 7.735 8.918 102 HG11 VAL 12 HG11 VAL 12 -7.896 9.476 7.527 103 HG12 VAL 12 HG12 VAL 12 -7.535 8.493 8.946 104 HG13 VAL 12 HG13 VAL 12 -8.713 9.801 9.056 105 HG21 VAL 12 HG21 VAL 12 -9.861 9.167 6.244 106 HG22 VAL 12 HG22 VAL 12 -10.902 9.554 7.614 107 HG23 VAL 12 HG23 VAL 12 -11.135 8.047 6.728 108 H GLU 13 HN GLU 13 -9.438 5.551 5.216 109 HA GLU 13 HA GLU 13 -11.331 3.701 6.609 110 HB2 GLU 13 HB2 GLU 13 -12.637 5.565 5.572 111 HB3 GLU 13 HB1 GLU 13 -11.944 5.139 4.007 112 HG2 GLU 13 HG2 GLU 13 -12.929 2.907 4.136 113 HG3 GLU 13 HG1 GLU 13 -13.555 3.251 5.749 114 H ASN 14 HN ASN 14 -11.109 1.619 5.918 115 HA ASN 14 HA ASN 14 -9.086 1.070 3.828 116 HB2 ASN 14 HB2 ASN 14 -10.458 -0.610 5.928 117 HB3 ASN 14 HB1 ASN 14 -9.465 -1.324 4.663 118 HD21 ASN 14 HD21 ASN 14 -7.141 -0.770 4.635 119 HD22 ASN 14 HD22 ASN 14 -6.389 -0.146 6.022 120 H GLY 15 HN GLY 15 -9.513 -0.386 2.073 121 HA2 GLY 15 HA2 GLY 15 -10.871 -1.532 0.504 122 HA3 GLY 15 HA1 GLY 15 -12.271 -1.227 1.534 123 H GLN 16 HN GLN 16 -10.330 1.518 0.907 124 HA GLN 16 HA GLN 16 -12.473 2.623 -0.838 125 HB2 GLN 16 HB2 GLN 16 -11.764 3.929 1.143 126 HB3 GLN 16 HB1 GLN 16 -10.125 4.005 0.495 127 HG2 GLN 16 HG2 GLN 16 -10.873 5.247 -1.438 128 HG3 GLN 16 HG1 GLN 16 -12.564 5.018 -0.990 129 HE21 GLN 16 HE21 GLN 16 -9.581 6.220 0.676 130 HE22 GLN 16 HE22 GLN 16 -10.340 7.578 1.354 131 H TRP 17 HN TRP 17 -12.026 3.486 -2.880 132 HA TRP 17 HA TRP 17 -9.450 2.581 -4.115 133 HB2 TRP 17 HB2 TRP 17 -12.169 3.174 -5.307 134 HB3 TRP 17 HB1 TRP 17 -10.730 2.824 -6.266 135 HD1 TRP 17 HD1 TRP 17 -13.370 1.194 -4.134 136 HE1 TRP 17 HE1 TRP 17 -13.034 -1.363 -4.148 137 HE3 TRP 17 HE3 TRP 17 -8.828 0.918 -6.448 138 HZ2 TRP 17 HZ2 TRP 17 -11.092 -3.271 -5.027 139 HZ3 TRP 17 HZ3 TRP 17 -7.758 -1.280 -6.861 140 HH2 TRP 17 HH2 TRP 17 -8.884 -3.372 -6.154 141 H ALA 18 HN ALA 18 -8.076 4.087 -4.912 142 HA ALA 18 HA ALA 18 -8.995 6.721 -5.763 143 HB1 ALA 18 HB1 ALA 18 -7.722 8.039 -4.120 144 HB2 ALA 18 HB2 ALA 18 -7.239 6.558 -3.291 145 HB3 ALA 18 HB3 ALA 18 -8.934 7.046 -3.309 146 H ASN 19 HN ASN 19 -6.767 8.147 -5.946 147 HA ASN 19 HA ASN 19 -4.733 6.364 -7.265 148 HB2 ASN 19 HB2 ASN 19 -5.904 7.636 -8.966 149 HB3 ASN 19 HB1 ASN 19 -5.683 9.133 -8.059 150 HD21 ASN 19 HD21 ASN 19 -3.982 10.356 -8.835 151 HD22 ASN 19 HD22 ASN 19 -2.576 9.745 -9.562 152 H LEU 20 HN LEU 20 -2.573 6.777 -6.719 153 HA LEU 20 HA LEU 20 -2.045 9.103 -4.913 154 HB2 LEU 20 HB2 LEU 20 -1.348 6.186 -4.515 155 HB3 LEU 20 HB1 LEU 20 -0.489 7.471 -3.668 156 HG LEU 20 HG LEU 20 -3.506 7.442 -3.583 157 HD11 LEU 20 HD11 LEU 20 -1.638 5.636 -2.037 158 HD12 LEU 20 HD12 LEU 20 -3.076 5.185 -2.951 159 HD13 LEU 20 HD13 LEU 20 -3.239 6.068 -1.433 160 HD21 LEU 20 HD21 LEU 20 -1.945 9.279 -2.621 161 HD22 LEU 20 HD22 LEU 20 -1.522 8.092 -1.390 162 HD23 LEU 20 HD23 LEU 20 -3.191 8.637 -1.552 163 H LYS 21 HN LYS 21 0.045 9.939 -5.030 164 HA LYS 21 HA LYS 21 1.869 8.791 -7.115 165 HB2 LYS 21 HB2 LYS 21 0.589 10.720 -8.055 166 HB3 LYS 21 HB1 LYS 21 1.218 11.730 -6.754 167 HG2 LYS 21 HG2 LYS 21 3.492 11.392 -7.502 168 HG3 LYS 21 HG1 LYS 21 2.971 10.211 -8.702 169 HD2 LYS 21 HD2 LYS 21 3.369 12.386 -9.770 170 HD3 LYS 21 HD1 LYS 21 1.658 11.973 -9.851 171 HE2 LYS 21 HE2 LYS 21 1.080 13.540 -8.203 172 HE3 LYS 21 HE1 LYS 21 2.727 13.631 -7.574 173 HZ1 LYS 21 HZ1 LYS 21 3.420 14.915 -9.347 174 HZ2 LYS 21 HZ2 LYS 21 1.863 15.525 -9.050 175 HZ3 LYS 21 HZ3 LYS 21 2.127 14.452 -10.341 176 H ALA 22 HN ALA 22 3.862 8.532 -6.297 177 HA ALA 22 HA ALA 22 4.970 10.438 -4.351 178 HB1 ALA 22 HB1 ALA 22 4.140 7.664 -3.511 179 HB2 ALA 22 HB2 ALA 22 3.740 9.201 -2.747 180 HB3 ALA 22 HB3 ALA 22 5.382 8.563 -2.641 181 H LYS 23 HN LYS 23 7.075 9.481 -3.451 182 HA LYS 23 HA LYS 23 8.590 8.272 -5.749 183 HB2 LYS 23 HB2 LYS 23 9.124 10.647 -4.787 184 HB3 LYS 23 HB1 LYS 23 9.910 9.757 -3.485 185 HG2 LYS 23 HG2 LYS 23 11.363 8.623 -5.072 186 HG3 LYS 23 HG1 LYS 23 10.511 9.354 -6.433 187 HD2 LYS 23 HD2 LYS 23 11.208 11.588 -5.698 188 HD3 LYS 23 HD1 LYS 23 12.033 10.886 -4.305 189 HE2 LYS 23 HE2 LYS 23 13.521 9.633 -5.797 190 HE3 LYS 23 HE1 LYS 23 12.685 10.289 -7.205 191 HZ1 LYS 23 HZ1 LYS 23 13.284 12.516 -5.870 192 HZ2 LYS 23 HZ2 LYS 23 14.277 11.845 -7.075 193 HZ3 LYS 23 HZ3 LYS 23 14.604 11.545 -5.435 194 H VAL 24 HN VAL 24 10.220 6.686 -5.304 195 HA VAL 24 HA VAL 24 9.509 4.981 -2.993 196 HB VAL 24 HB VAL 24 11.397 4.540 -5.324 197 HG11 VAL 24 HG11 VAL 24 10.424 2.725 -3.101 198 HG12 VAL 24 HG12 VAL 24 12.092 3.154 -3.480 199 HG13 VAL 24 HG13 VAL 24 11.174 2.128 -4.582 200 HG21 VAL 24 HG21 VAL 24 8.877 4.765 -5.756 201 HG22 VAL 24 HG22 VAL 24 8.689 3.290 -4.809 202 HG23 VAL 24 HG23 VAL 24 9.628 3.266 -6.301 203 H ILE 25 HN ILE 25 10.464 5.855 -1.161 204 HA ILE 25 HA ILE 25 13.215 6.829 -1.194 205 HB ILE 25 HB ILE 25 12.863 6.993 1.288 206 HG12 ILE 25 HG12 ILE 25 10.037 6.124 0.626 207 HG13 ILE 25 HG11 ILE 25 11.234 5.046 1.343 208 HG21 ILE 25 HG21 ILE 25 12.349 8.935 0.010 209 HG22 ILE 25 HG22 ILE 25 10.943 8.682 1.042 210 HG23 ILE 25 HG23 ILE 25 10.889 8.204 -0.655 211 HD11 ILE 25 HD11 ILE 25 11.530 6.705 3.198 212 HD12 ILE 25 HD12 ILE 25 9.913 6.004 3.134 213 HD13 ILE 25 HD13 ILE 25 10.195 7.634 2.520 214 H GLN 26 HN GLN 26 11.608 3.812 -0.498 215 HA GLN 26 HA GLN 26 14.198 2.469 -0.316 216 HB2 GLN 26 HB2 GLN 26 13.774 3.265 2.027 217 HB3 GLN 26 HB1 GLN 26 12.290 2.312 2.039 218 HG2 GLN 26 HG2 GLN 26 14.034 1.000 3.077 219 HG3 GLN 26 HG1 GLN 26 13.674 0.275 1.514 220 HE21 GLN 26 HE21 GLN 26 15.735 -0.544 0.929 221 HE22 GLN 26 HE22 GLN 26 17.124 0.419 0.783 222 H LEU 27 HN LEU 27 14.001 0.242 -0.736 223 HA LEU 27 HA LEU 27 11.244 -0.821 -1.208 224 HB2 LEU 27 HB2 LEU 27 11.869 -1.713 -3.335 225 HB3 LEU 27 HB1 LEU 27 12.373 -0.028 -3.348 226 HG LEU 27 HG LEU 27 14.170 -2.427 -2.824 227 HD11 LEU 27 HD11 LEU 27 15.175 -1.877 -4.948 228 HD12 LEU 27 HD12 LEU 27 14.145 -0.456 -5.116 229 HD13 LEU 27 HD13 LEU 27 13.438 -2.070 -5.185 230 HD21 LEU 27 HD21 LEU 27 14.594 0.555 -2.607 231 HD22 LEU 27 HD22 LEU 27 15.931 -0.477 -3.108 232 HD23 LEU 27 HD23 LEU 27 15.169 -0.733 -1.544 233 H TRP 28 HN TRP 28 11.168 -3.196 -1.208 234 HA TRP 28 HA TRP 28 13.571 -4.551 -0.101 235 HB2 TRP 28 HB2 TRP 28 11.930 -3.708 1.752 236 HB3 TRP 28 HB1 TRP 28 10.886 -5.018 1.202 237 HD1 TRP 28 HD1 TRP 28 12.157 -7.515 1.095 238 HE1 TRP 28 HE1 TRP 28 13.793 -8.527 2.809 239 HE3 TRP 28 HE3 TRP 28 13.657 -3.264 3.491 240 HZ2 TRP 28 HZ2 TRP 28 15.513 -7.647 4.921 241 HZ3 TRP 28 HZ3 TRP 28 15.293 -3.379 5.349 242 HH2 TRP 28 HH2 TRP 28 16.223 -5.563 6.066 243 H GLU 29 HN GLU 29 13.864 -6.062 -1.618 244 HA GLU 29 HA GLU 29 11.752 -7.188 -3.238 245 HB2 GLU 29 HB2 GLU 29 14.126 -7.105 -3.969 246 HB3 GLU 29 HB1 GLU 29 14.535 -8.286 -2.727 247 HG2 GLU 29 HG2 GLU 29 13.012 -9.922 -3.763 248 HG3 GLU 29 HG1 GLU 29 12.572 -8.740 -4.996 249 H ASN 30 HN ASN 30 10.309 -8.728 -2.653 250 HA ASN 30 HA ASN 30 11.107 -10.748 -0.585 251 HB2 ASN 30 HB2 ASN 30 9.608 -8.794 0.275 252 HB3 ASN 30 HB1 ASN 30 8.326 -9.566 -0.657 253 HD21 ASN 30 HD21 ASN 30 7.595 -11.705 0.045 254 HD22 ASN 30 HD22 ASN 30 7.992 -12.315 1.577 255 H THR 31 HN THR 31 10.809 -12.750 -1.401 256 HA THR 31 HA THR 31 8.541 -13.233 -3.291 257 HB THR 31 HB THR 31 10.027 -14.622 -4.699 258 HG1 THR 31 HG1 THR 31 11.833 -13.853 -2.713 259 HG21 THR 31 HG21 THR 31 11.159 -11.839 -4.320 260 HG22 THR 31 HG22 THR 31 9.647 -12.177 -5.163 261 HG23 THR 31 HG23 THR 31 11.171 -12.799 -5.800 262 H HIS 32 HN HIS 32 9.198 -13.811 -0.398 263 HA HIS 32 HA HIS 32 9.721 -16.618 -0.111 264 HB2 HIS 32 HB2 HIS 32 9.959 -14.992 1.740 265 HB3 HIS 32 HB1 HIS 32 8.215 -14.730 1.733 266 HD1 HIS 32 HD1 HIS 32 10.673 -17.625 2.150 267 HD2 HIS 32 HD2 HIS 32 6.852 -16.490 3.369 268 HE1 HIS 32 HE1 HIS 32 9.890 -19.391 3.790 269 H GLU 33 HN GLU 33 6.669 -15.321 1.061 270 HA GLU 33 HA GLU 33 5.248 -17.696 0.196 271 HB2 GLU 33 HB2 GLU 33 4.694 -16.351 2.257 272 HB3 GLU 33 HB1 GLU 33 4.083 -15.078 1.204 273 HG2 GLU 33 HG2 GLU 33 2.415 -16.625 0.263 274 HG3 GLU 33 HG1 GLU 33 3.065 -17.938 1.243 275 H SER 34 HN SER 34 3.298 -14.991 -0.354 276 HA SER 34 HA SER 34 3.571 -15.291 -3.329 277 HB2 SER 34 HB2 SER 34 1.149 -14.697 -1.604 278 HB3 SER 34 HB1 SER 34 1.159 -14.574 -3.360 279 HG SER 34 HG SER 34 2.117 -16.869 -3.060 280 H ILE 35 HN ILE 35 4.587 -13.310 -1.021 281 HA ILE 35 HA ILE 35 3.499 -10.768 -1.964 282 HB ILE 35 HB ILE 35 5.838 -11.381 -0.130 283 HG12 ILE 35 HG12 ILE 35 3.017 -10.500 0.549 284 HG13 ILE 35 HG11 ILE 35 3.559 -12.177 0.615 285 HG21 ILE 35 HG21 ILE 35 4.341 -8.821 -0.765 286 HG22 ILE 35 HG22 ILE 35 6.051 -9.146 -1.043 287 HG23 ILE 35 HG23 ILE 35 5.439 -8.999 0.603 288 HD11 ILE 35 HD11 ILE 35 5.339 -11.515 2.218 289 HD12 ILE 35 HD12 ILE 35 3.726 -11.169 2.839 290 HD13 ILE 35 HD13 ILE 35 4.721 -9.863 2.193 291 H SER 36 HN SER 36 4.388 -9.483 -3.519 292 HA SER 36 HA SER 36 6.677 -10.535 -5.044 293 HB2 SER 36 HB2 SER 36 4.507 -9.466 -5.993 294 HB3 SER 36 HB1 SER 36 5.256 -7.928 -5.578 295 HG SER 36 HG SER 36 5.972 -9.837 -7.485 296 H GLN 37 HN GLN 37 5.867 -7.362 -3.574 297 HA GLN 37 HA GLN 37 8.670 -7.097 -2.671 298 HB2 GLN 37 HB2 GLN 37 8.690 -6.209 -4.978 299 HB3 GLN 37 HB1 GLN 37 7.379 -5.107 -4.561 300 HG2 GLN 37 HG2 GLN 37 8.770 -3.967 -2.938 301 HG3 GLN 37 HG1 GLN 37 10.060 -5.153 -3.151 302 HE21 GLN 37 HE21 GLN 37 11.704 -4.011 -4.211 303 HE22 GLN 37 HE22 GLN 37 11.483 -3.100 -5.625 304 H VAL 38 HN VAL 38 8.936 -5.396 -1.131 305 HA VAL 38 HA VAL 38 6.449 -4.061 -0.149 306 HB VAL 38 HB VAL 38 8.388 -5.590 1.615 307 HG11 VAL 38 HG11 VAL 38 7.550 -3.689 2.804 308 HG12 VAL 38 HG12 VAL 38 6.582 -5.064 3.336 309 HG13 VAL 38 HG13 VAL 38 5.922 -3.922 2.165 310 HG21 VAL 38 HG21 VAL 38 5.600 -6.188 0.602 311 HG22 VAL 38 HG22 VAL 38 6.231 -6.928 2.073 312 HG23 VAL 38 HG23 VAL 38 7.032 -7.215 0.528 313 H GLY 39 HN GLY 39 6.859 -1.981 0.623 314 HA2 GLY 39 HA2 GLY 39 9.503 -1.165 1.479 315 HA3 GLY 39 HA1 GLY 39 9.163 -0.611 -0.157 316 H LEU 40 HN LEU 40 9.244 1.559 0.628 317 HA LEU 40 HA LEU 40 6.694 2.435 1.923 318 HB2 LEU 40 HB2 LEU 40 9.431 3.569 2.576 319 HB3 LEU 40 HB1 LEU 40 7.889 4.066 3.274 320 HG LEU 40 HG LEU 40 7.771 1.405 3.843 321 HD11 LEU 40 HD11 LEU 40 10.722 2.116 3.931 322 HD12 LEU 40 HD12 LEU 40 9.985 0.940 2.844 323 HD13 LEU 40 HD13 LEU 40 10.001 0.643 4.581 324 HD21 LEU 40 HD21 LEU 40 8.771 2.014 6.093 325 HD22 LEU 40 HD22 LEU 40 7.481 3.082 5.539 326 HD23 LEU 40 HD23 LEU 40 9.165 3.592 5.409 327 H LEU 41 HN LEU 41 5.997 4.527 1.302 328 HA LEU 41 HA LEU 41 7.272 5.531 -1.228 329 HB2 LEU 41 HB2 LEU 41 4.437 5.969 -0.255 330 HB3 LEU 41 HB1 LEU 41 5.091 6.352 -1.845 331 HG LEU 41 HG LEU 41 4.850 3.578 -0.663 332 HD11 LEU 41 HD11 LEU 41 2.683 4.570 -1.313 333 HD12 LEU 41 HD12 LEU 41 3.128 3.239 -2.381 334 HD13 LEU 41 HD13 LEU 41 3.326 4.906 -2.920 335 HD21 LEU 41 HD21 LEU 41 6.704 3.467 -2.108 336 HD22 LEU 41 HD22 LEU 41 6.027 4.652 -3.226 337 HD23 LEU 41 HD23 LEU 41 5.370 3.016 -3.165 338 H GLY 42 HN GLY 42 8.082 7.553 -1.200 339 HA2 GLY 42 HA2 GLY 42 7.865 9.141 1.290 340 HA3 GLY 42 HA1 GLY 42 9.000 9.431 -0.026 341 H ASP 43 HN ASP 43 5.865 10.169 1.230 342 HA ASP 43 HA ASP 43 5.144 11.702 -1.228 343 HB2 ASP 43 HB2 ASP 43 3.461 11.326 1.254 344 HB3 ASP 43 HB1 ASP 43 2.933 11.808 -0.359 345 H GLU 44 HN GLU 44 4.377 13.930 -0.916 346 HA GLU 44 HA GLU 44 6.200 15.495 0.686 347 HB2 GLU 44 HB2 GLU 44 4.846 17.414 -0.125 348 HB3 GLU 44 HB1 GLU 44 5.292 16.326 -1.440 349 HG2 GLU 44 HG2 GLU 44 3.075 15.207 -1.226 350 HG3 GLU 44 HG1 GLU 44 2.627 16.383 0.009 351 H THR 45 HN THR 45 3.177 13.997 1.352 352 HA THR 45 HA THR 45 2.586 15.842 3.617 353 HB THR 45 HB THR 45 0.464 14.697 3.766 354 HG1 THR 45 HG1 THR 45 0.593 13.022 1.722 355 HG21 THR 45 HG21 THR 45 0.997 14.892 0.804 356 HG22 THR 45 HG22 THR 45 0.967 16.332 1.822 357 HG23 THR 45 HG23 THR 45 -0.468 15.317 1.686 358 H GLY 46 HN GLY 46 4.233 12.924 2.993 359 HA2 GLY 46 HA2 GLY 46 5.325 12.473 5.444 360 HA3 GLY 46 HA1 GLY 46 3.732 11.737 5.632 361 H ILE 47 HN ILE 47 4.537 9.608 5.769 362 HA ILE 47 HA ILE 47 5.513 8.471 3.176 363 HB ILE 47 HB ILE 47 7.001 6.961 4.425 364 HG12 ILE 47 HG12 ILE 47 7.427 7.704 6.897 365 HG13 ILE 47 HG11 ILE 47 5.843 8.464 6.786 366 HG21 ILE 47 HG21 ILE 47 7.932 9.046 3.604 367 HG22 ILE 47 HG22 ILE 47 8.642 8.670 5.172 368 HG23 ILE 47 HG23 ILE 47 7.379 9.895 5.046 369 HD11 ILE 47 HD11 ILE 47 6.309 5.844 7.528 370 HD12 ILE 47 HD12 ILE 47 5.838 5.661 5.840 371 HD13 ILE 47 HD13 ILE 47 4.763 6.479 6.973 372 H ILE 48 HN ILE 48 5.056 6.109 3.004 373 HA ILE 48 HA ILE 48 3.126 4.984 4.899 374 HB ILE 48 HB ILE 48 1.667 6.398 3.506 375 HG12 ILE 48 HG12 ILE 48 0.110 4.634 2.728 376 HG13 ILE 48 HG11 ILE 48 1.392 3.436 2.886 377 HG21 ILE 48 HG21 ILE 48 1.427 5.864 1.086 378 HG22 ILE 48 HG22 ILE 48 2.816 4.789 1.210 379 HG23 ILE 48 HG23 ILE 48 3.013 6.517 1.492 380 HD11 ILE 48 HD11 ILE 48 -0.349 3.813 4.849 381 HD12 ILE 48 HD12 ILE 48 0.731 5.142 5.271 382 HD13 ILE 48 HD13 ILE 48 1.346 3.489 5.206 383 H LYS 49 HN LYS 49 2.891 2.722 4.634 384 HA LYS 49 HA LYS 49 5.074 1.434 3.175 385 HB2 LYS 49 HB2 LYS 49 2.847 0.375 4.925 386 HB3 LYS 49 HB1 LYS 49 4.078 -0.652 4.188 387 HG2 LYS 49 HG2 LYS 49 5.844 0.636 5.324 388 HG3 LYS 49 HG1 LYS 49 4.619 1.676 6.050 389 HD2 LYS 49 HD2 LYS 49 3.660 -0.216 7.250 390 HD3 LYS 49 HD1 LYS 49 4.780 -1.323 6.454 391 HE2 LYS 49 HE2 LYS 49 5.589 -0.769 8.707 392 HE3 LYS 49 HE1 LYS 49 6.684 -0.123 7.484 393 HZ1 LYS 49 HZ1 LYS 49 4.886 1.871 7.820 394 HZ2 LYS 49 HZ2 LYS 49 6.419 1.801 8.546 395 HZ3 LYS 49 HZ3 LYS 49 5.050 1.266 9.395 396 H PHE 50 HN PHE 50 4.569 -0.534 1.707 397 HA PHE 50 HA PHE 50 1.916 -0.572 0.531 398 HB2 PHE 50 HB2 PHE 50 2.494 0.134 -1.672 399 HB3 PHE 50 HB1 PHE 50 3.165 1.368 -0.609 400 HD1 PHE 50 HD1 PHE 50 5.615 1.465 -0.184 401 HD2 PHE 50 HD2 PHE 50 3.903 -1.383 -2.901 402 HE1 PHE 50 HE1 PHE 50 7.856 1.036 -1.150 403 HE2 PHE 50 HE2 PHE 50 6.146 -1.825 -3.855 404 HZ PHE 50 HZ PHE 50 8.126 -0.617 -2.976 405 H THR 51 HN THR 51 1.628 -2.513 -0.666 406 HA THR 51 HA THR 51 4.002 -4.330 -0.882 407 HB THR 51 HB THR 51 2.899 -5.006 1.167 408 HG1 THR 51 HG1 THR 51 3.457 -6.798 0.114 409 HG21 THR 51 HG21 THR 51 0.713 -3.872 0.575 410 HG22 THR 51 HG22 THR 51 0.544 -5.466 1.308 411 HG23 THR 51 HG23 THR 51 0.347 -5.270 -0.433 412 H ILE 52 HN ILE 52 4.087 -5.347 -2.799 413 HA ILE 52 HA ILE 52 1.710 -5.143 -4.617 414 HB ILE 52 HB ILE 52 4.630 -5.603 -5.288 415 HG12 ILE 52 HG12 ILE 52 2.931 -3.133 -5.738 416 HG13 ILE 52 HG11 ILE 52 3.993 -3.326 -4.343 417 HG21 ILE 52 HG21 ILE 52 3.784 -5.032 -7.606 418 HG22 ILE 52 HG22 ILE 52 2.145 -5.169 -6.971 419 HG23 ILE 52 HG23 ILE 52 3.208 -6.577 -6.980 420 HD11 ILE 52 HD11 ILE 52 4.918 -3.538 -7.222 421 HD12 ILE 52 HD12 ILE 52 5.935 -3.541 -5.781 422 HD13 ILE 52 HD13 ILE 52 5.060 -2.080 -6.238 423 H TRP 53 HN TRP 53 0.683 -6.997 -5.218 424 HA TRP 53 HA TRP 53 1.720 -9.552 -4.195 425 HB2 TRP 53 HB2 TRP 53 -0.832 -8.752 -5.616 426 HB3 TRP 53 HB1 TRP 53 -0.469 -10.411 -5.139 427 HD1 TRP 53 HD1 TRP 53 -1.542 -7.069 -3.762 428 HE1 TRP 53 HE1 TRP 53 -2.055 -7.304 -1.247 429 HE3 TRP 53 HE3 TRP 53 0.246 -11.778 -2.941 430 HZ2 TRP 53 HZ2 TRP 53 -1.746 -9.240 0.839 431 HZ3 TRP 53 HZ3 TRP 53 0.126 -12.795 -0.684 432 HH2 TRP 53 HH2 TRP 53 -0.866 -11.533 1.206 433 H LYS 54 HN LYS 54 2.446 -11.241 -5.438 434 HA LYS 54 HA LYS 54 3.681 -10.777 -7.939 435 HB2 LYS 54 HB2 LYS 54 2.761 -13.291 -6.533 436 HB3 LYS 54 HB1 LYS 54 3.543 -13.372 -8.109 437 HG2 LYS 54 HG2 LYS 54 4.849 -11.796 -5.896 438 HG3 LYS 54 HG1 LYS 54 4.993 -13.552 -5.908 439 HD2 LYS 54 HD2 LYS 54 5.871 -13.452 -8.233 440 HD3 LYS 54 HD1 LYS 54 5.786 -11.695 -8.177 441 HE2 LYS 54 HE2 LYS 54 7.247 -12.788 -5.871 442 HE3 LYS 54 HE1 LYS 54 7.987 -13.230 -7.409 443 HZ1 LYS 54 HZ1 LYS 54 7.103 -10.462 -6.968 444 HZ2 LYS 54 HZ2 LYS 54 8.328 -11.053 -7.987 445 HZ3 LYS 54 HZ3 LYS 54 8.572 -10.987 -6.307 446 H ASN 55 HN ASN 55 0.438 -11.924 -7.151 447 HA ASN 55 HA ASN 55 -0.346 -12.790 -9.740 448 HB2 ASN 55 HB2 ASN 55 -2.071 -11.430 -7.648 449 HB3 ASN 55 HB1 ASN 55 -2.636 -12.473 -8.954 450 HD21 ASN 55 HD21 ASN 55 -2.565 -12.756 -5.833 451 HD22 ASN 55 HD22 ASN 55 -1.923 -14.310 -5.607 452 H ALA 56 HN ALA 56 0.668 -9.732 -8.820 453 HA ALA 56 HA ALA 56 -1.137 -8.242 -10.620 454 HB1 ALA 56 HB1 ALA 56 -0.092 -7.382 -8.397 455 HB2 ALA 56 HB2 ALA 56 -0.105 -6.293 -9.782 456 HB3 ALA 56 HB3 ALA 56 1.376 -7.150 -9.347 457 H GLU 57 HN GLU 57 2.105 -9.591 -10.575 458 HA GLU 57 HA GLU 57 3.754 -9.723 -12.234 459 HB2 GLU 57 HB2 GLU 57 1.233 -9.675 -13.917 460 HB3 GLU 57 HB1 GLU 57 2.837 -10.047 -14.555 461 HG2 GLU 57 HG2 GLU 57 3.052 -11.933 -13.019 462 HG3 GLU 57 HG1 GLU 57 1.497 -11.541 -12.283 463 H LEU 58 HN LEU 58 3.641 -7.180 -11.285 464 HA LEU 58 HA LEU 58 3.590 -5.422 -13.697 465 HB2 LEU 58 HB2 LEU 58 3.631 -4.574 -10.800 466 HB3 LEU 58 HB1 LEU 58 3.307 -3.558 -12.205 467 HG LEU 58 HG LEU 58 1.605 -5.902 -11.311 468 HD11 LEU 58 HD11 LEU 58 1.313 -4.090 -9.755 469 HD12 LEU 58 HD12 LEU 58 -0.066 -4.040 -10.855 470 HD13 LEU 58 HD13 LEU 58 1.266 -2.902 -11.058 471 HD21 LEU 58 HD21 LEU 58 1.308 -5.736 -13.645 472 HD22 LEU 58 HD22 LEU 58 1.465 -3.980 -13.635 473 HD23 LEU 58 HD23 LEU 58 0.004 -4.742 -13.008 474 HA PRO 59 HA PRO 59 8.025 -5.046 -13.714 475 HB2 PRO 59 HB2 PRO 59 7.701 -2.073 -13.821 476 HB3 PRO 59 HB1 PRO 59 8.569 -3.152 -14.929 477 HG2 PRO 59 HG2 PRO 59 6.203 -2.053 -15.567 478 HG3 PRO 59 HG1 PRO 59 6.680 -3.667 -16.121 479 HD2 PRO 59 HD2 PRO 59 4.703 -2.913 -14.012 480 HD3 PRO 59 HD1 PRO 59 4.747 -4.322 -15.092 481 H LEU 60 HN LEU 60 9.746 -4.605 -12.291 482 HA LEU 60 HA LEU 60 9.077 -4.112 -9.537 483 HB2 LEU 60 HB2 LEU 60 11.804 -4.069 -10.863 484 HB3 LEU 60 HB1 LEU 60 11.480 -4.293 -9.143 485 HG LEU 60 HG LEU 60 10.534 -6.145 -11.349 486 HD11 LEU 60 HD11 LEU 60 12.967 -6.261 -11.024 487 HD12 LEU 60 HD12 LEU 60 12.195 -7.717 -10.396 488 HD13 LEU 60 HD13 LEU 60 12.737 -6.457 -9.287 489 HD21 LEU 60 HD21 LEU 60 10.158 -6.074 -8.355 490 HD22 LEU 60 HD22 LEU 60 10.178 -7.622 -9.201 491 HD23 LEU 60 HD23 LEU 60 8.971 -6.411 -9.618 492 H LEU 61 HN LEU 61 9.451 -2.311 -8.254 493 HA LEU 61 HA LEU 61 9.471 0.266 -9.629 494 HB2 LEU 61 HB2 LEU 61 9.270 -0.614 -6.748 495 HB3 LEU 61 HB1 LEU 61 9.425 1.091 -7.174 496 HG LEU 61 HG LEU 61 7.424 0.901 -8.622 497 HD11 LEU 61 HD11 LEU 61 7.572 -1.968 -7.689 498 HD12 LEU 61 HD12 LEU 61 7.380 -1.347 -9.330 499 HD13 LEU 61 HD13 LEU 61 6.040 -1.261 -8.192 500 HD21 LEU 61 HD21 LEU 61 7.159 1.586 -6.269 501 HD22 LEU 61 HD22 LEU 61 7.019 -0.104 -5.784 502 HD23 LEU 61 HD23 LEU 61 5.772 0.630 -6.792 503 H GLU 62 HN GLU 62 11.118 1.828 -9.525 504 HA GLU 62 HA GLU 62 13.805 0.779 -8.727 505 HB2 GLU 62 HB2 GLU 62 13.485 1.582 -11.069 506 HB3 GLU 62 HB1 GLU 62 13.104 3.184 -10.435 507 HG2 GLU 62 HG2 GLU 62 15.308 3.330 -9.386 508 HG3 GLU 62 HG1 GLU 62 15.696 1.696 -9.923 509 H GLN 63 HN GLN 63 14.898 1.708 -7.070 510 HA GLN 63 HA GLN 63 13.542 3.593 -5.334 511 HB2 GLN 63 HB2 GLN 63 15.078 1.823 -4.499 512 HB3 GLN 63 HB1 GLN 63 16.426 2.669 -5.256 513 HG2 GLN 63 HG2 GLN 63 16.056 4.625 -3.870 514 HG3 GLN 63 HG1 GLN 63 14.585 3.920 -3.200 515 HE21 GLN 63 HE21 GLN 63 16.577 1.313 -3.502 516 HE22 GLN 63 HE22 GLN 63 17.331 1.338 -1.982 517 H GLY 64 HN GLY 64 13.874 5.782 -5.106 518 HA2 GLY 64 HA2 GLY 64 15.028 7.860 -5.368 519 HA3 GLY 64 HA1 GLY 64 16.131 7.087 -6.506 520 H GLU 65 HN GLU 65 13.310 5.975 -7.561 521 HA GLU 65 HA GLU 65 12.965 8.238 -9.491 522 HB2 GLU 65 HB2 GLU 65 12.236 5.302 -9.696 523 HB3 GLU 65 HB1 GLU 65 11.930 6.509 -10.945 524 HG2 GLU 65 HG2 GLU 65 14.673 5.865 -9.827 525 HG3 GLU 65 HG1 GLU 65 14.037 5.215 -11.339 526 H SER 66 HN SER 66 10.832 8.768 -10.185 527 HA SER 66 HA SER 66 8.860 8.687 -7.983 528 HB2 SER 66 HB2 SER 66 7.594 10.241 -9.591 529 HB3 SER 66 HB1 SER 66 9.104 10.845 -8.914 530 HG SER 66 HG SER 66 9.336 11.183 -11.043 531 H TYR 67 HN TYR 67 6.761 7.801 -8.206 532 HA TYR 67 HA TYR 67 6.186 6.279 -10.707 533 HB2 TYR 67 HB2 TYR 67 6.454 5.151 -7.922 534 HB3 TYR 67 HB1 TYR 67 5.344 4.402 -9.069 535 HD1 TYR 67 HD2 TYR 67 6.225 3.607 -11.301 536 HD2 TYR 67 HD1 TYR 67 8.810 4.808 -8.089 537 HE1 TYR 67 HE2 TYR 67 8.115 2.416 -12.379 538 HE2 TYR 67 HE1 TYR 67 10.699 3.616 -9.164 539 HH TYR 67 HH TYR 67 10.353 2.131 -12.362 540 H LEU 68 HN LEU 68 4.051 6.033 -11.137 541 HA LEU 68 HA LEU 68 2.132 7.528 -9.381 542 HB2 LEU 68 HB2 LEU 68 2.385 8.550 -11.589 543 HB3 LEU 68 HB1 LEU 68 2.065 7.005 -12.365 544 HG LEU 68 HG LEU 68 -0.205 6.979 -11.497 545 HD11 LEU 68 HD11 LEU 68 0.757 9.377 -9.952 546 HD12 LEU 68 HD12 LEU 68 -0.142 7.973 -9.376 547 HD13 LEU 68 HD13 LEU 68 -0.957 9.206 -10.333 548 HD21 LEU 68 HD21 LEU 68 0.300 9.771 -12.542 549 HD22 LEU 68 HD22 LEU 68 -1.117 8.755 -12.805 550 HD23 LEU 68 HD23 LEU 68 0.417 8.345 -13.574 551 H LEU 69 HN LEU 69 0.462 6.361 -8.532 552 HA LEU 69 HA LEU 69 0.032 3.574 -9.564 553 HB2 LEU 69 HB2 LEU 69 -0.501 4.553 -6.748 554 HB3 LEU 69 HB1 LEU 69 -0.474 2.893 -7.338 555 HG LEU 69 HG LEU 69 2.044 3.629 -8.059 556 HD11 LEU 69 HD11 LEU 69 1.672 5.070 -5.426 557 HD12 LEU 69 HD12 LEU 69 1.555 5.922 -6.964 558 HD13 LEU 69 HD13 LEU 69 3.058 5.116 -6.518 559 HD21 LEU 69 HD21 LEU 69 1.197 2.720 -5.289 560 HD22 LEU 69 HD22 LEU 69 2.817 2.551 -5.968 561 HD23 LEU 69 HD23 LEU 69 1.464 1.675 -6.685 562 H ARG 70 HN ARG 70 -1.849 3.474 -10.631 563 HA ARG 70 HA ARG 70 -4.116 5.253 -9.762 564 HB2 ARG 70 HB2 ARG 70 -3.510 3.925 -12.410 565 HB3 ARG 70 HB1 ARG 70 -5.020 4.766 -12.056 566 HG2 ARG 70 HG2 ARG 70 -3.790 6.835 -11.592 567 HG3 ARG 70 HG1 ARG 70 -2.261 6.000 -11.869 568 HD2 ARG 70 HD2 ARG 70 -2.914 7.244 -13.881 569 HD3 ARG 70 HD1 ARG 70 -2.962 5.509 -14.194 570 HE ARG 70 HE ARG 70 -5.539 6.430 -13.304 571 HH11 ARG 70 HH21 ARG 70 -3.343 6.438 -15.962 572 HH12 ARG 70 HH22 ARG 70 -4.588 6.580 -17.158 573 HH21 ARG 70 HH11 ARG 70 -7.171 6.611 -14.845 574 HH22 ARG 70 HH12 ARG 70 -6.757 6.678 -16.525 575 H SER 71 HN SER 71 -6.185 4.375 -9.502 576 HA SER 71 HA SER 71 -7.730 2.775 -8.830 577 HB2 SER 71 HB2 SER 71 -6.245 1.422 -11.065 578 HB3 SER 71 HB1 SER 71 -7.454 0.520 -10.159 579 HG SER 71 HG SER 71 -7.728 2.716 -11.856 580 H VAL 72 HN VAL 72 -6.046 2.982 -6.848 581 HA VAL 72 HA VAL 72 -5.080 0.209 -6.200 582 HB VAL 72 HB VAL 72 -3.803 1.503 -4.346 583 HG11 VAL 72 HG11 VAL 72 -3.027 2.009 -7.234 584 HG12 VAL 72 HG12 VAL 72 -2.781 0.477 -6.394 585 HG13 VAL 72 HG13 VAL 72 -1.945 1.926 -5.843 586 HG21 VAL 72 HG21 VAL 72 -5.064 3.625 -4.652 587 HG22 VAL 72 HG22 VAL 72 -4.393 3.770 -6.277 588 HG23 VAL 72 HG23 VAL 72 -3.329 3.849 -4.873 589 H VAL 73 HN VAL 73 -5.370 -0.423 -3.925 590 HA VAL 73 HA VAL 73 -7.868 0.756 -2.733 591 HB VAL 73 HB VAL 73 -8.284 -1.446 -3.785 592 HG11 VAL 73 HG11 VAL 73 -6.390 -2.592 -1.723 593 HG12 VAL 73 HG12 VAL 73 -5.884 -2.239 -3.376 594 HG13 VAL 73 HG13 VAL 73 -7.156 -3.423 -3.076 595 HG21 VAL 73 HG21 VAL 73 -9.407 -2.427 -1.901 596 HG22 VAL 73 HG22 VAL 73 -9.428 -0.682 -1.648 597 HG23 VAL 73 HG23 VAL 73 -8.278 -1.688 -0.766 598 H VAL 74 HN VAL 74 -7.939 0.864 -0.478 599 HA VAL 74 HA VAL 74 -5.280 0.901 0.827 600 HB VAL 74 HB VAL 74 -8.028 1.755 1.779 601 HG11 VAL 74 HG11 VAL 74 -6.760 1.203 3.730 602 HG12 VAL 74 HG12 VAL 74 -6.631 2.953 3.548 603 HG13 VAL 74 HG13 VAL 74 -5.291 1.914 3.059 604 HG21 VAL 74 HG21 VAL 74 -5.608 3.387 0.952 605 HG22 VAL 74 HG22 VAL 74 -7.194 4.013 1.401 606 HG23 VAL 74 HG23 VAL 74 -7.001 3.082 -0.085 607 H GLY 75 HN GLY 75 -4.578 -0.720 2.136 608 HA2 GLY 75 HA2 GLY 75 -6.558 -2.789 3.031 609 HA3 GLY 75 HA1 GLY 75 -4.848 -3.098 2.728 610 H GLU 76 HN GLU 76 -6.248 -3.656 5.190 611 HA GLU 76 HA GLU 76 -5.060 -1.659 7.082 612 HB2 GLU 76 HB2 GLU 76 -7.506 -2.223 7.294 613 HB3 GLU 76 HB1 GLU 76 -7.042 -3.887 7.650 614 HG2 GLU 76 HG2 GLU 76 -7.376 -2.767 9.759 615 HG3 GLU 76 HG1 GLU 76 -5.638 -2.988 9.559 616 H TYR 77 HN TYR 77 -3.358 -2.286 8.361 617 HA TYR 77 HA TYR 77 -2.630 -5.197 8.434 618 HB2 TYR 77 HB2 TYR 77 -1.173 -3.989 6.842 619 HB3 TYR 77 HB1 TYR 77 -0.742 -2.844 8.112 620 HD1 TYR 77 HD1 TYR 77 -0.719 -6.491 7.284 621 HD2 TYR 77 HD2 TYR 77 1.032 -3.320 9.593 622 HE1 TYR 77 HE1 TYR 77 1.050 -8.039 8.069 623 HE2 TYR 77 HE2 TYR 77 2.801 -4.869 10.379 624 HH TYR 77 HH TYR 77 2.949 -8.231 9.209 625 H ASN 78 HN ASN 78 -2.727 -5.844 10.503 626 HA ASN 78 HA ASN 78 -2.891 -5.686 12.850 627 HB2 ASN 78 HB2 ASN 78 -0.216 -4.410 12.213 628 HB3 ASN 78 HB1 ASN 78 -0.711 -4.891 13.837 629 HD21 ASN 78 HD21 ASN 78 1.477 -6.067 12.129 630 HD22 ASN 78 HD22 ASN 78 1.094 -7.715 11.983 631 H ASP 79 HN ASP 79 -0.992 -2.739 12.768 632 HA ASP 79 HA ASP 79 -3.413 -1.172 13.634 633 HB2 ASP 79 HB2 ASP 79 -1.867 0.084 15.140 634 HB3 ASP 79 HB1 ASP 79 -2.010 -1.619 15.579 635 H ARG 80 HN ARG 80 -0.642 -1.381 11.603 636 HA ARG 80 HA ARG 80 -0.697 1.517 10.956 637 HB2 ARG 80 HB2 ARG 80 1.055 -0.763 10.002 638 HB3 ARG 80 HB1 ARG 80 1.191 0.893 9.410 639 HG2 ARG 80 HG2 ARG 80 1.611 1.696 11.695 640 HG3 ARG 80 HG1 ARG 80 1.443 0.053 12.313 641 HD2 ARG 80 HD2 ARG 80 3.360 -0.661 10.919 642 HD3 ARG 80 HD1 ARG 80 3.537 0.994 10.333 643 HE ARG 80 HE ARG 80 3.600 0.874 13.228 644 HH11 ARG 80 HH21 ARG 80 5.379 0.374 10.319 645 HH12 ARG 80 HH22 ARG 80 6.917 0.685 11.050 646 HH21 ARG 80 HH11 ARG 80 5.592 1.281 14.200 647 HH22 ARG 80 HH12 ARG 80 7.038 1.199 13.250 648 H PHE 81 HN PHE 81 -1.039 2.247 8.778 649 HA PHE 81 HA PHE 81 -2.959 0.532 7.261 650 HB2 PHE 81 HB2 PHE 81 -2.394 3.512 7.201 651 HB3 PHE 81 HB1 PHE 81 -3.538 2.698 6.133 652 HD1 PHE 81 HD1 PHE 81 -2.837 3.731 9.597 653 HD2 PHE 81 HD2 PHE 81 -5.624 1.761 6.990 654 HE1 PHE 81 HE1 PHE 81 -4.566 3.836 11.370 655 HE2 PHE 81 HE2 PHE 81 -7.355 1.865 8.763 656 HZ PHE 81 HZ PHE 81 -6.826 2.901 10.954 657 H GLN 82 HN GLN 82 -2.630 0.201 4.998 658 HA GLN 82 HA GLN 82 -0.173 1.259 3.755 659 HB2 GLN 82 HB2 GLN 82 0.691 -0.977 3.189 660 HB3 GLN 82 HB1 GLN 82 0.622 -0.759 4.936 661 HG2 GLN 82 HG2 GLN 82 -1.553 -1.959 4.983 662 HG3 GLN 82 HG1 GLN 82 -1.429 -2.225 3.244 663 HE21 GLN 82 HE21 GLN 82 -0.871 -4.393 2.966 664 HE22 GLN 82 HE22 GLN 82 0.363 -5.191 3.816 665 H VAL 83 HN VAL 83 -0.106 0.719 1.414 666 HA VAL 83 HA VAL 83 -2.890 0.349 0.344 667 HB VAL 83 HB VAL 83 -1.713 1.290 -1.790 668 HG11 VAL 83 HG11 VAL 83 -1.953 3.634 -0.887 669 HG12 VAL 83 HG12 VAL 83 -2.197 2.933 0.712 670 HG13 VAL 83 HG13 VAL 83 -3.347 2.598 -0.584 671 HG21 VAL 83 HG21 VAL 83 0.578 0.952 -0.639 672 HG22 VAL 83 HG22 VAL 83 0.186 2.402 0.283 673 HG23 VAL 83 HG23 VAL 83 0.313 2.480 -1.475 674 H GLN 84 HN GLN 84 -3.337 -1.495 -0.718 675 HA GLN 84 HA GLN 84 -1.091 -3.350 -1.375 676 HB2 GLN 84 HB2 GLN 84 -4.080 -3.780 -1.123 677 HB3 GLN 84 HB1 GLN 84 -2.936 -5.035 -1.599 678 HG2 GLN 84 HG2 GLN 84 -1.738 -4.784 0.525 679 HG3 GLN 84 HG1 GLN 84 -2.824 -3.478 1.000 680 HE21 GLN 84 HE21 GLN 84 -3.039 -5.290 2.849 681 HE22 GLN 84 HE22 GLN 84 -4.329 -6.371 2.632 682 H VAL 85 HN VAL 85 -0.505 -3.625 -3.461 683 HA VAL 85 HA VAL 85 -2.235 -2.474 -5.600 684 HB VAL 85 HB VAL 85 0.617 -3.466 -5.791 685 HG11 VAL 85 HG11 VAL 85 -0.668 -3.270 -7.910 686 HG12 VAL 85 HG12 VAL 85 0.658 -2.113 -7.823 687 HG13 VAL 85 HG13 VAL 85 -0.995 -1.579 -7.527 688 HG21 VAL 85 HG21 VAL 85 -0.466 -0.686 -5.233 689 HG22 VAL 85 HG22 VAL 85 1.213 -1.040 -5.641 690 HG23 VAL 85 HG23 VAL 85 0.520 -1.665 -4.145 691 H ASN 86 HN ASN 86 -3.245 -3.814 -7.069 692 HA ASN 86 HA ASN 86 -2.431 -6.695 -7.148 693 HB2 ASN 86 HB2 ASN 86 -5.238 -5.562 -6.981 694 HB3 ASN 86 HB1 ASN 86 -4.857 -7.251 -7.312 695 HD21 ASN 86 HD21 ASN 86 -5.829 -5.341 -4.823 696 HD22 ASN 86 HD22 ASN 86 -5.098 -6.148 -3.522 697 H LYS 87 HN LYS 87 -4.241 -7.534 -9.022 698 HA LYS 87 HA LYS 87 -3.086 -6.673 -11.488 699 HB2 LYS 87 HB2 LYS 87 -5.635 -8.182 -10.866 700 HB3 LYS 87 HB1 LYS 87 -5.022 -7.949 -12.504 701 HG2 LYS 87 HG2 LYS 87 -2.916 -9.063 -11.884 702 HG3 LYS 87 HG1 LYS 87 -3.509 -9.288 -10.238 703 HD2 LYS 87 HD2 LYS 87 -4.841 -10.407 -12.725 704 HD3 LYS 87 HD1 LYS 87 -3.796 -11.329 -11.644 705 HE2 LYS 87 HE2 LYS 87 -5.825 -11.858 -10.674 706 HE3 LYS 87 HE1 LYS 87 -5.539 -10.347 -9.812 707 HZ1 LYS 87 HZ1 LYS 87 -7.228 -9.379 -10.854 708 HZ2 LYS 87 HZ2 LYS 87 -7.688 -10.925 -11.387 709 HZ3 LYS 87 HZ3 LYS 87 -6.732 -9.930 -12.380 710 H ASN 88 HN ASN 88 -6.155 -5.814 -9.903 711 HA ASN 88 HA ASN 88 -7.211 -4.236 -12.034 712 HB2 ASN 88 HB2 ASN 88 -7.638 -4.257 -9.045 713 HB3 ASN 88 HB1 ASN 88 -8.437 -3.054 -10.057 714 HD21 ASN 88 HD21 ASN 88 -8.921 -4.715 -12.372 715 HD22 ASN 88 HD22 ASN 88 -10.058 -5.897 -11.937 716 H SER 89 HN SER 89 -4.885 -3.516 -9.504 717 HA SER 89 HA SER 89 -4.898 -0.640 -10.062 718 HB2 SER 89 HB2 SER 89 -2.871 -0.649 -8.554 719 HB3 SER 89 HB1 SER 89 -4.331 -1.306 -7.823 720 HG SER 89 HG SER 89 -2.496 -2.647 -7.490 721 H SER 90 HN SER 90 -2.857 0.481 -10.741 722 HA SER 90 HA SER 90 -1.156 -1.136 -12.583 723 HB2 SER 90 HB2 SER 90 -2.930 -0.189 -13.986 724 HB3 SER 90 HB1 SER 90 -2.628 1.415 -13.323 725 HG SER 90 HG SER 90 -0.500 -0.023 -14.442 726 H ILE 91 HN ILE 91 0.785 0.237 -13.317 727 HA ILE 91 HA ILE 91 1.474 2.389 -11.379 728 HB ILE 91 HB ILE 91 3.171 -0.059 -11.967 729 HG12 ILE 91 HG12 ILE 91 2.093 0.986 -9.328 730 HG13 ILE 91 HG11 ILE 91 1.324 -0.297 -10.259 731 HG21 ILE 91 HG21 ILE 91 4.729 1.074 -10.290 732 HG22 ILE 91 HG22 ILE 91 3.772 2.536 -10.529 733 HG23 ILE 91 HG23 ILE 91 4.647 1.822 -11.883 734 HD11 ILE 91 HD11 ILE 91 4.102 -0.338 -9.069 735 HD12 ILE 91 HD12 ILE 91 3.489 -1.570 -10.172 736 HD13 ILE 91 HD13 ILE 91 2.730 -1.339 -8.597 737 H GLU 92 HN GLU 92 2.465 4.072 -12.437 738 HA GLU 92 HA GLU 92 3.702 3.521 -15.121 739 HB2 GLU 92 HB2 GLU 92 2.234 6.083 -14.489 740 HB3 GLU 92 HB1 GLU 92 2.666 5.418 -16.062 741 HG2 GLU 92 HG2 GLU 92 1.069 3.559 -15.705 742 HG3 GLU 92 HG1 GLU 92 0.621 4.258 -14.147 743 H LYS 93 HN LYS 93 5.715 4.358 -15.332 744 HA LYS 93 HA LYS 93 6.958 5.688 -13.056 745 HB2 LYS 93 HB2 LYS 93 8.180 4.073 -14.488 746 HB3 LYS 93 HB1 LYS 93 8.035 5.187 -15.847 747 HG2 LYS 93 HG2 LYS 93 9.313 6.884 -14.624 748 HG3 LYS 93 HG1 LYS 93 9.413 5.819 -13.221 749 HD2 LYS 93 HD2 LYS 93 10.634 4.151 -14.574 750 HD3 LYS 93 HD1 LYS 93 10.549 5.225 -15.971 751 HE2 LYS 93 HE2 LYS 93 11.832 6.933 -14.752 752 HE3 LYS 93 HE1 LYS 93 11.895 5.886 -13.333 753 HZ1 LYS 93 HZ1 LYS 93 13.406 5.756 -15.794 754 HZ2 LYS 93 HZ2 LYS 93 12.808 4.260 -15.255 755 HZ3 LYS 93 HZ3 LYS 93 13.804 5.194 -14.244 756 H LEU 94 HN LEU 94 7.497 7.864 -12.874 757 HA LEU 94 HA LEU 94 6.282 9.676 -14.919 758 HB2 LEU 94 HB2 LEU 94 7.214 10.233 -12.094 759 HB3 LEU 94 HB1 LEU 94 6.432 11.394 -13.161 760 HG LEU 94 HG LEU 94 5.203 8.770 -12.269 761 HD11 LEU 94 HD11 LEU 94 3.656 10.440 -11.026 762 HD12 LEU 94 HD12 LEU 94 4.973 11.597 -11.242 763 HD13 LEU 94 HD13 LEU 94 5.242 10.110 -10.331 764 HD21 LEU 94 HD21 LEU 94 4.111 9.282 -14.270 765 HD22 LEU 94 HD22 LEU 94 4.318 11.022 -14.068 766 HD23 LEU 94 HD23 LEU 94 3.107 10.158 -13.122 767 H SER 95 HN SER 95 7.486 11.191 -15.982 768 HA SER 95 HA SER 95 10.397 10.776 -16.024 769 HB2 SER 95 HB2 SER 95 8.629 12.677 -17.592 770 HB3 SER 95 HB1 SER 95 10.340 12.396 -17.896 771 HG SER 95 HG SER 95 9.078 10.049 -17.750 772 H GLU 96 HN GLU 96 8.367 12.583 -14.103 773 HA GLU 96 HA GLU 96 10.355 14.804 -13.823 774 HB2 GLU 96 HB2 GLU 96 7.975 15.393 -14.446 775 HB3 GLU 96 HB1 GLU 96 7.493 14.795 -12.857 776 HG2 GLU 96 HG2 GLU 96 9.076 16.388 -11.799 777 HG3 GLU 96 HG1 GLU 96 9.489 17.014 -13.395 778 HA PRO 97 HA PRO 97 11.119 12.819 -9.845 779 HB2 PRO 97 HB2 PRO 97 12.830 14.654 -8.768 780 HB3 PRO 97 HB1 PRO 97 13.313 13.544 -10.067 781 HG2 PRO 97 HG2 PRO 97 12.501 16.415 -10.240 782 HG3 PRO 97 HG1 PRO 97 13.814 15.564 -11.074 783 HD2 PRO 97 HD2 PRO 97 11.405 16.118 -12.258 784 HD3 PRO 97 HD1 PRO 97 12.406 14.723 -12.712 785 H ILE 98 HN ILE 98 10.507 13.088 -7.634 786 HA ILE 98 HA ILE 98 8.686 15.418 -7.107 787 HB ILE 98 HB ILE 98 8.665 12.601 -5.985 788 HG12 ILE 98 HG12 ILE 98 6.595 14.056 -7.653 789 HG13 ILE 98 HG11 ILE 98 7.830 13.008 -8.352 790 HG21 ILE 98 HG21 ILE 98 7.006 15.053 -5.343 791 HG22 ILE 98 HG22 ILE 98 7.946 14.064 -4.225 792 HG23 ILE 98 HG23 ILE 98 6.478 13.416 -4.954 793 HD11 ILE 98 HD11 ILE 98 7.012 11.130 -6.965 794 HD12 ILE 98 HD12 ILE 98 5.740 11.764 -8.005 795 HD13 ILE 98 HD13 ILE 98 5.763 12.179 -6.292 796 H GLU 99 HN GLU 99 9.135 16.700 -5.369 797 HA GLU 99 HA GLU 99 11.620 16.104 -3.854 798 HB2 GLU 99 HB2 GLU 99 11.318 18.341 -4.885 799 HB3 GLU 99 HB1 GLU 99 9.890 18.595 -3.882 800 HG2 GLU 99 HG2 GLU 99 11.243 18.402 -1.851 801 HG3 GLU 99 HG1 GLU 99 12.678 18.048 -2.814 802 H VAL 100 HN VAL 100 11.423 15.089 -1.943 803 HA VAL 100 HA VAL 100 9.115 15.727 -0.169 804 HB VAL 100 HB VAL 100 8.520 13.601 -1.111 805 HG11 VAL 100 HG11 VAL 100 11.391 12.779 -0.574 806 HG12 VAL 100 HG12 VAL 100 10.684 13.089 -2.159 807 HG13 VAL 100 HG13 VAL 100 10.131 11.718 -1.201 808 HG21 VAL 100 HG21 VAL 100 10.031 12.868 1.400 809 HG22 VAL 100 HG22 VAL 100 8.517 12.187 0.809 810 HG23 VAL 100 HG23 VAL 100 8.556 13.832 1.442 811 H GLY 101 HN GLY 101 12.440 14.684 -0.618 812 HA2 GLY 101 HA2 GLY 101 13.155 14.309 2.110 813 HA3 GLY 101 HA1 GLY 101 14.281 14.749 0.824 814 H LEU 102 HN LEU 102 12.581 15.872 3.562 815 HA LEU 102 HA LEU 102 12.323 18.019 4.512 816 HB2 LEU 102 HB2 LEU 102 15.096 18.289 3.315 817 HB3 LEU 102 HB1 LEU 102 14.454 19.213 4.674 818 HG LEU 102 HG LEU 102 14.800 16.198 4.623 819 HD11 LEU 102 HD11 LEU 102 16.931 17.532 4.698 820 HD12 LEU 102 HD12 LEU 102 16.659 16.546 6.134 821 HD13 LEU 102 HD13 LEU 102 16.352 18.282 6.185 822 HD21 LEU 102 HD21 LEU 102 13.049 16.575 6.137 823 HD22 LEU 102 HD22 LEU 102 13.677 18.148 6.633 824 HD23 LEU 102 HD23 LEU 102 14.455 16.666 7.191 825 H GLU 103 HN GLU 103 10.695 18.417 2.751 826 HA GLU 103 HA GLU 103 11.348 19.914 0.401 827 HB2 GLU 103 HB2 GLU 103 9.226 18.672 0.726 828 HB3 GLU 103 HB1 GLU 103 8.752 19.833 1.965 829 HG2 GLU 103 HG2 GLU 103 8.806 21.650 0.327 830 HG3 GLU 103 HG1 GLU 103 9.364 20.535 -0.921 831 H HIS 104 HN HIS 104 11.842 22.025 0.182 832 HA HIS 104 HA HIS 104 10.800 24.044 2.040 833 HB2 HIS 104 HB2 HIS 104 12.925 23.121 3.109 834 HB3 HIS 104 HB1 HIS 104 13.803 23.773 1.725 835 HD1 HIS 104 HD1 HIS 104 14.243 26.276 1.685 836 HD2 HIS 104 HD2 HIS 104 11.624 25.170 4.733 837 HE1 HIS 104 HE1 HIS 104 13.912 28.332 3.126 838 H HIS 105 HN HIS 105 11.762 26.277 1.283 839 HA HIS 105 HA HIS 105 11.091 26.668 -1.443 840 HB2 HIS 105 HB2 HIS 105 12.895 28.370 0.308 841 HB3 HIS 105 HB1 HIS 105 12.121 28.898 -1.186 842 HD1 HIS 105 HD1 HIS 105 9.386 28.730 -1.145 843 HD2 HIS 105 HD2 HIS 105 11.309 28.707 2.553 844 HE1 HIS 105 HE1 HIS 105 7.625 29.306 0.581 845 H HIS 106 HN HIS 106 13.291 28.237 -2.422 846 HA HIS 106 HA HIS 106 14.909 26.100 -3.567 847 HB2 HIS 106 HB2 HIS 106 15.196 29.113 -3.801 848 HB3 HIS 106 HB1 HIS 106 16.019 27.921 -4.807 849 HD1 HIS 106 HD1 HIS 106 12.656 29.469 -4.196 850 HD2 HIS 106 HD2 HIS 106 14.358 26.639 -6.739 851 HE1 HIS 106 HE1 HIS 106 10.937 28.999 -5.996 852 H HIS 107 HN HIS 107 15.059 27.893 -0.727 853 HA HIS 107 HA HIS 107 17.828 28.395 -0.378 854 HB2 HIS 107 HB2 HIS 107 16.038 29.175 1.168 855 HB3 HIS 107 HB1 HIS 107 15.818 27.513 1.719 856 HD1 HIS 107 HD1 HIS 107 17.675 26.483 3.205 857 HD2 HIS 107 HD2 HIS 107 18.426 30.430 2.094 858 HE1 HIS 107 HE1 HIS 107 19.591 27.282 4.655 859 H HIS 108 HN HIS 108 19.519 26.996 -0.261 860 HA HIS 108 HA HIS 108 19.137 24.326 0.957 861 HB2 HIS 108 HB2 HIS 108 18.696 24.143 -1.550 862 HB3 HIS 108 HB1 HIS 108 20.390 24.572 -1.787 863 HD1 HIS 108 HD1 HIS 108 22.183 22.915 -0.685 864 HD2 HIS 108 HD2 HIS 108 18.271 21.479 -0.810 865 HE1 HIS 108 HE1 HIS 108 22.320 20.422 -0.258 866 H HIS 109 HN HIS 109 20.987 23.634 1.986 867 HA HIS 109 HA HIS 109 23.165 25.550 2.269 868 HB2 HIS 109 HB2 HIS 109 24.127 23.638 3.711 869 HB3 HIS 109 HB1 HIS 109 22.606 24.356 4.244 870 HD1 HIS 109 HD1 HIS 109 24.090 21.193 3.004 871 HD2 HIS 109 HD2 HIS 109 20.269 22.721 3.669 872 HE1 HIS 109 HE1 HIS 109 22.506 19.219 2.927 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -3.844 15.932 -14.306 2 H2 MET 1 HT2 MET 1 -4.553 14.399 -14.485 3 H3 MET 1 HT3 MET 1 -3.491 14.701 -13.194 4 HA MET 1 HA MET 1 -5.168 15.322 -11.921 5 HB2 MET 1 HB2 MET 1 -5.720 17.278 -14.174 6 HB3 MET 1 HB1 MET 1 -6.475 17.351 -12.582 7 HG2 MET 1 HG2 MET 1 -3.478 17.433 -13.061 8 HG3 MET 1 HG1 MET 1 -4.479 18.858 -12.793 9 HE1 MET 1 HE1 MET 1 -4.835 19.751 -10.017 10 HE2 MET 1 HE2 MET 1 -5.940 18.523 -9.405 11 HE3 MET 1 HE3 MET 1 -6.079 19.071 -11.071 12 H GLU 2 HN GLU 2 -5.546 13.378 -14.265 13 HA GLU 2 HA GLU 2 -8.427 13.527 -14.788 14 HB2 GLU 2 HB2 GLU 2 -6.142 12.179 -15.929 15 HB3 GLU 2 HB1 GLU 2 -7.341 10.958 -15.520 16 HG2 GLU 2 HG2 GLU 2 -9.057 12.269 -16.766 17 HG3 GLU 2 HG1 GLU 2 -7.805 13.424 -17.224 18 HA PRO 3 HA PRO 3 -8.399 9.765 -11.854 19 HB2 PRO 3 HB2 PRO 3 -6.154 9.098 -10.476 20 HB3 PRO 3 HB1 PRO 3 -6.453 8.545 -12.134 21 HG2 PRO 3 HG2 PRO 3 -4.677 10.725 -11.156 22 HG3 PRO 3 HG1 PRO 3 -4.433 9.584 -12.490 23 HD2 PRO 3 HD2 PRO 3 -5.286 12.217 -12.795 24 HD3 PRO 3 HD1 PRO 3 -5.530 10.944 -14.008 25 H GLN 4 HN GLN 4 -8.716 9.541 -9.491 26 HA GLN 4 HA GLN 4 -9.029 12.152 -8.236 27 HB2 GLN 4 HB2 GLN 4 -9.514 9.324 -7.253 28 HB3 GLN 4 HB1 GLN 4 -9.911 10.769 -6.321 29 HG2 GLN 4 HG2 GLN 4 -11.406 11.545 -8.090 30 HG3 GLN 4 HG1 GLN 4 -10.958 10.173 -9.103 31 HE21 GLN 4 HE21 GLN 4 -13.325 11.222 -6.971 32 HE22 GLN 4 HE22 GLN 4 -13.936 9.713 -6.489 33 H LEU 5 HN LEU 5 -7.377 13.159 -7.180 34 HA LEU 5 HA LEU 5 -5.066 11.574 -6.228 35 HB2 LEU 5 HB2 LEU 5 -5.498 14.569 -6.266 36 HB3 LEU 5 HB1 LEU 5 -3.972 13.736 -5.965 37 HG LEU 5 HG LEU 5 -5.583 13.603 -8.534 38 HD11 LEU 5 HD11 LEU 5 -4.334 15.766 -7.968 39 HD12 LEU 5 HD12 LEU 5 -3.919 15.000 -9.503 40 HD13 LEU 5 HD13 LEU 5 -2.850 14.821 -8.111 41 HD21 LEU 5 HD21 LEU 5 -4.467 11.539 -8.462 42 HD22 LEU 5 HD22 LEU 5 -3.093 12.196 -7.570 43 HD23 LEU 5 HD23 LEU 5 -3.284 12.550 -9.287 44 H THR 6 HN THR 6 -4.817 11.067 -4.133 45 HA THR 6 HA THR 6 -6.348 12.605 -2.060 46 HB THR 6 HB THR 6 -5.877 9.607 -2.124 47 HG1 THR 6 HG1 THR 6 -7.858 11.263 -3.038 48 HG21 THR 6 HG21 THR 6 -5.881 10.457 0.146 49 HG22 THR 6 HG22 THR 6 -7.436 9.681 -0.156 50 HG23 THR 6 HG23 THR 6 -7.308 11.439 -0.183 51 H LYS 7 HN LYS 7 -5.279 12.805 -0.028 52 HA LYS 7 HA LYS 7 -2.328 12.519 -0.222 53 HB2 LYS 7 HB2 LYS 7 -4.129 14.039 1.684 54 HB3 LYS 7 HB1 LYS 7 -2.370 14.015 1.788 55 HG2 LYS 7 HG2 LYS 7 -2.221 14.949 -0.495 56 HG3 LYS 7 HG1 LYS 7 -3.983 14.982 -0.591 57 HD2 LYS 7 HD2 LYS 7 -4.091 16.543 1.289 58 HD3 LYS 7 HD1 LYS 7 -2.339 16.465 1.482 59 HE2 LYS 7 HE2 LYS 7 -2.897 18.477 0.230 60 HE3 LYS 7 HE1 LYS 7 -2.092 17.339 -0.850 61 HZ1 LYS 7 HZ1 LYS 7 -4.750 18.377 -0.967 62 HZ2 LYS 7 HZ2 LYS 7 -4.733 16.679 -1.020 63 HZ3 LYS 7 HZ3 LYS 7 -3.851 17.577 -2.162 64 H ILE 8 HN ILE 8 -1.150 11.389 1.325 65 HA ILE 8 HA ILE 8 -2.219 9.037 2.437 66 HB ILE 8 HB ILE 8 0.177 10.679 3.303 67 HG12 ILE 8 HG12 ILE 8 0.115 8.130 1.670 68 HG13 ILE 8 HG11 ILE 8 0.047 9.724 0.922 69 HG21 ILE 8 HG21 ILE 8 -0.333 9.226 5.135 70 HG22 ILE 8 HG22 ILE 8 0.962 8.440 4.234 71 HG23 ILE 8 HG23 ILE 8 -0.702 7.883 4.053 72 HD11 ILE 8 HD11 ILE 8 2.175 10.266 2.263 73 HD12 ILE 8 HD12 ILE 8 2.354 9.143 0.920 74 HD13 ILE 8 HD13 ILE 8 2.286 8.539 2.570 75 H VAL 9 HN VAL 9 -1.704 12.202 3.937 76 HA VAL 9 HA VAL 9 -2.550 11.473 6.580 77 HB VAL 9 HB VAL 9 -1.333 13.599 5.910 78 HG11 VAL 9 HG11 VAL 9 -2.501 15.405 4.938 79 HG12 VAL 9 HG12 VAL 9 -4.078 14.690 5.277 80 HG13 VAL 9 HG13 VAL 9 -3.055 14.012 4.012 81 HG21 VAL 9 HG21 VAL 9 -3.885 14.064 7.482 82 HG22 VAL 9 HG22 VAL 9 -2.352 14.919 7.658 83 HG23 VAL 9 HG23 VAL 9 -2.477 13.226 8.135 84 H ASP 10 HN ASP 10 -4.293 11.624 3.692 85 HA ASP 10 HA ASP 10 -6.884 12.254 5.034 86 HB2 ASP 10 HB2 ASP 10 -6.232 13.338 2.830 87 HB3 ASP 10 HB1 ASP 10 -6.360 11.742 2.090 88 H ILE 11 HN ILE 11 -4.995 9.618 4.680 89 HA ILE 11 HA ILE 11 -7.072 7.726 3.773 90 HB ILE 11 HB ILE 11 -4.236 7.337 4.771 91 HG12 ILE 11 HG12 ILE 11 -5.440 6.923 2.014 92 HG13 ILE 11 HG11 ILE 11 -4.598 8.394 2.501 93 HG21 ILE 11 HG21 ILE 11 -5.415 5.347 5.372 94 HG22 ILE 11 HG22 ILE 11 -4.599 4.978 3.854 95 HG23 ILE 11 HG23 ILE 11 -6.324 5.345 3.861 96 HD11 ILE 11 HD11 ILE 11 -2.946 7.067 1.421 97 HD12 ILE 11 HD12 ILE 11 -3.476 5.602 2.245 98 HD13 ILE 11 HD13 ILE 11 -2.635 6.860 3.145 99 H VAL 12 HN VAL 12 -8.568 7.007 5.191 100 HA VAL 12 HA VAL 12 -7.732 6.277 7.929 101 HB VAL 12 HB VAL 12 -9.614 7.510 8.963 102 HG11 VAL 12 HG11 VAL 12 -7.882 9.384 7.340 103 HG12 VAL 12 HG12 VAL 12 -7.264 8.454 8.705 104 HG13 VAL 12 HG13 VAL 12 -8.537 9.649 8.956 105 HG21 VAL 12 HG21 VAL 12 -9.926 8.615 6.156 106 HG22 VAL 12 HG22 VAL 12 -10.674 9.334 7.582 107 HG23 VAL 12 HG23 VAL 12 -11.125 7.705 7.075 108 H GLU 13 HN GLU 13 -9.170 5.393 5.166 109 HA GLU 13 HA GLU 13 -11.031 3.508 6.570 110 HB2 GLU 13 HB2 GLU 13 -12.134 5.456 5.218 111 HB3 GLU 13 HB1 GLU 13 -11.616 4.554 3.796 112 HG2 GLU 13 HG2 GLU 13 -13.291 3.387 6.044 113 HG3 GLU 13 HG1 GLU 13 -13.944 3.984 4.519 114 H ASN 14 HN ASN 14 -10.599 1.422 6.090 115 HA ASN 14 HA ASN 14 -8.512 0.830 4.091 116 HB2 ASN 14 HB2 ASN 14 -8.595 -1.451 5.029 117 HB3 ASN 14 HB1 ASN 14 -8.399 -0.245 6.300 118 HD21 ASN 14 HD21 ASN 14 -9.354 -2.125 7.647 119 HD22 ASN 14 HD22 ASN 14 -11.046 -2.227 7.741 120 H GLY 15 HN GLY 15 -8.805 -0.640 2.339 121 HA2 GLY 15 HA2 GLY 15 -10.029 -1.840 0.714 122 HA3 GLY 15 HA1 GLY 15 -11.456 -1.711 1.744 123 H GLN 16 HN GLN 16 -9.810 1.237 1.195 124 HA GLN 16 HA GLN 16 -12.068 2.181 -0.485 125 HB2 GLN 16 HB2 GLN 16 -11.452 3.545 1.454 126 HB3 GLN 16 HB1 GLN 16 -9.803 3.693 0.847 127 HG2 GLN 16 HG2 GLN 16 -10.546 4.928 -1.086 128 HG3 GLN 16 HG1 GLN 16 -12.238 4.612 -0.701 129 HE21 GLN 16 HE21 GLN 16 -9.925 6.993 -0.485 130 HE22 GLN 16 HE22 GLN 16 -10.534 7.855 0.845 131 H TRP 17 HN TRP 17 -11.795 3.025 -2.548 132 HA TRP 17 HA TRP 17 -9.242 2.307 -3.911 133 HB2 TRP 17 HB2 TRP 17 -12.029 2.917 -4.935 134 HB3 TRP 17 HB1 TRP 17 -10.640 2.666 -5.994 135 HD1 TRP 17 HD1 TRP 17 -13.152 0.833 -3.881 136 HE1 TRP 17 HE1 TRP 17 -12.748 -1.707 -4.066 137 HE3 TRP 17 HE3 TRP 17 -8.664 0.830 -6.314 138 HZ2 TRP 17 HZ2 TRP 17 -10.779 -3.504 -5.111 139 HZ3 TRP 17 HZ3 TRP 17 -7.547 -1.305 -6.891 140 HH2 TRP 17 HH2 TRP 17 -8.597 -3.470 -6.294 141 H ALA 18 HN ALA 18 -7.889 3.885 -4.593 142 HA ALA 18 HA ALA 18 -8.867 6.539 -5.322 143 HB1 ALA 18 HB1 ALA 18 -8.726 6.680 -2.829 144 HB2 ALA 18 HB2 ALA 18 -7.641 7.800 -3.652 145 HB3 ALA 18 HB3 ALA 18 -7.004 6.315 -2.944 146 H ASN 19 HN ASN 19 -6.732 8.012 -5.618 147 HA ASN 19 HA ASN 19 -4.488 6.329 -6.656 148 HB2 ASN 19 HB2 ASN 19 -5.885 8.513 -8.235 149 HB3 ASN 19 HB1 ASN 19 -4.457 7.618 -8.754 150 HD21 ASN 19 HD21 ASN 19 -7.173 7.642 -10.024 151 HD22 ASN 19 HD22 ASN 19 -7.684 6.025 -10.031 152 H LEU 20 HN LEU 20 -2.481 7.396 -6.555 153 HA LEU 20 HA LEU 20 -2.352 10.255 -5.933 154 HB2 LEU 20 HB2 LEU 20 -1.337 10.002 -3.756 155 HB3 LEU 20 HB1 LEU 20 -2.920 9.240 -3.752 156 HG LEU 20 HG LEU 20 -1.264 7.138 -4.548 157 HD11 LEU 20 HD11 LEU 20 0.201 8.702 -2.399 158 HD12 LEU 20 HD12 LEU 20 0.752 8.486 -4.058 159 HD13 LEU 20 HD13 LEU 20 0.628 7.093 -2.986 160 HD21 LEU 20 HD21 LEU 20 -1.510 6.358 -2.154 161 HD22 LEU 20 HD22 LEU 20 -3.016 6.862 -2.919 162 HD23 LEU 20 HD23 LEU 20 -2.205 7.935 -1.778 163 H LYS 21 HN LYS 21 -0.119 11.028 -5.846 164 HA LYS 21 HA LYS 21 1.738 9.254 -7.369 165 HB2 LYS 21 HB2 LYS 21 1.214 11.520 -8.287 166 HB3 LYS 21 HB1 LYS 21 1.882 12.233 -6.825 167 HG2 LYS 21 HG2 LYS 21 4.067 11.266 -7.283 168 HG3 LYS 21 HG1 LYS 21 3.427 10.403 -8.680 169 HD2 LYS 21 HD2 LYS 21 4.572 12.404 -9.461 170 HD3 LYS 21 HD1 LYS 21 2.840 12.606 -9.715 171 HE2 LYS 21 HE2 LYS 21 2.630 14.124 -7.934 172 HE3 LYS 21 HE1 LYS 21 4.139 13.604 -7.185 173 HZ1 LYS 21 HZ1 LYS 21 5.088 14.437 -9.477 174 HZ2 LYS 21 HZ2 LYS 21 4.832 15.504 -8.179 175 HZ3 LYS 21 HZ3 LYS 21 3.698 15.408 -9.439 176 H ALA 22 HN ALA 22 3.723 8.671 -6.485 177 HA ALA 22 HA ALA 22 4.656 9.970 -4.010 178 HB1 ALA 22 HB1 ALA 22 4.398 8.188 -2.547 179 HB2 ALA 22 HB2 ALA 22 4.352 6.987 -3.840 180 HB3 ALA 22 HB3 ALA 22 2.951 8.005 -3.531 181 H LYS 23 HN LYS 23 6.745 9.329 -3.391 182 HA LYS 23 HA LYS 23 8.396 8.325 -5.681 183 HB2 LYS 23 HB2 LYS 23 8.980 10.562 -4.882 184 HB3 LYS 23 HB1 LYS 23 9.215 9.937 -3.250 185 HG2 LYS 23 HG2 LYS 23 11.056 8.517 -4.026 186 HG3 LYS 23 HG1 LYS 23 10.777 9.034 -5.691 187 HD2 LYS 23 HD2 LYS 23 11.276 11.362 -5.048 188 HD3 LYS 23 HD1 LYS 23 11.567 10.840 -3.389 189 HE2 LYS 23 HE2 LYS 23 13.086 9.761 -5.775 190 HE3 LYS 23 HE1 LYS 23 13.660 11.093 -4.771 191 HZ1 LYS 23 HZ1 LYS 23 13.336 9.528 -2.836 192 HZ2 LYS 23 HZ2 LYS 23 14.624 9.165 -3.884 193 HZ3 LYS 23 HZ3 LYS 23 13.174 8.282 -3.976 194 H VAL 24 HN VAL 24 10.122 6.781 -5.272 195 HA VAL 24 HA VAL 24 9.420 4.946 -3.038 196 HB VAL 24 HB VAL 24 11.211 4.586 -5.455 197 HG11 VAL 24 HG11 VAL 24 11.967 3.142 -3.676 198 HG12 VAL 24 HG12 VAL 24 11.032 2.162 -4.797 199 HG13 VAL 24 HG13 VAL 24 10.311 2.684 -3.277 200 HG21 VAL 24 HG21 VAL 24 8.710 4.827 -5.830 201 HG22 VAL 24 HG22 VAL 24 8.501 3.371 -4.857 202 HG23 VAL 24 HG23 VAL 24 9.399 3.299 -6.373 203 H ILE 25 HN ILE 25 10.509 5.395 -1.194 204 HA ILE 25 HA ILE 25 13.260 6.493 -1.301 205 HB ILE 25 HB ILE 25 12.972 6.535 1.215 206 HG12 ILE 25 HG12 ILE 25 10.090 5.922 0.520 207 HG13 ILE 25 HG11 ILE 25 11.205 4.716 1.167 208 HG21 ILE 25 HG21 ILE 25 11.204 8.380 1.065 209 HG22 ILE 25 HG22 ILE 25 11.074 7.976 -0.647 210 HG23 ILE 25 HG23 ILE 25 12.603 8.564 0.006 211 HD11 ILE 25 HD11 ILE 25 10.662 7.365 2.521 212 HD12 ILE 25 HD12 ILE 25 11.523 5.979 3.187 213 HD13 ILE 25 HD13 ILE 25 9.784 5.884 2.909 214 H GLN 26 HN GLN 26 11.667 3.449 -0.785 215 HA GLN 26 HA GLN 26 14.236 2.103 -0.659 216 HB2 GLN 26 HB2 GLN 26 13.893 2.831 1.710 217 HB3 GLN 26 HB1 GLN 26 12.399 1.896 1.736 218 HG2 GLN 26 HG2 GLN 26 14.191 0.573 2.702 219 HG3 GLN 26 HG1 GLN 26 13.711 -0.151 1.176 220 HE21 GLN 26 HE21 GLN 26 15.736 -1.042 0.511 221 HE22 GLN 26 HE22 GLN 26 17.125 -0.103 0.250 222 H LEU 27 HN LEU 27 13.995 -0.193 -0.954 223 HA LEU 27 HA LEU 27 11.218 -1.159 -1.516 224 HB2 LEU 27 HB2 LEU 27 13.669 -1.480 -3.263 225 HB3 LEU 27 HB1 LEU 27 12.178 -2.395 -3.491 226 HG LEU 27 HG LEU 27 12.385 0.632 -3.522 227 HD11 LEU 27 HD11 LEU 27 13.459 -0.712 -5.451 228 HD12 LEU 27 HD12 LEU 27 12.294 0.535 -5.887 229 HD13 LEU 27 HD13 LEU 27 11.809 -1.160 -5.880 230 HD21 LEU 27 HD21 LEU 27 10.008 0.082 -4.715 231 HD22 LEU 27 HD22 LEU 27 10.155 0.332 -2.978 232 HD23 LEU 27 HD23 LEU 27 10.096 -1.304 -3.631 233 H TRP 28 HN TRP 28 11.000 -3.488 -1.407 234 HA TRP 28 HA TRP 28 13.231 -4.977 -0.151 235 HB2 TRP 28 HB2 TRP 28 10.539 -4.436 1.124 236 HB3 TRP 28 HB1 TRP 28 11.498 -5.850 1.560 237 HD1 TRP 28 HD1 TRP 28 11.769 -2.005 1.477 238 HE1 TRP 28 HE1 TRP 28 13.473 -1.280 3.271 239 HE3 TRP 28 HE3 TRP 28 13.358 -6.582 3.072 240 HZ2 TRP 28 HZ2 TRP 28 15.271 -2.486 5.138 241 HZ3 TRP 28 HZ3 TRP 28 15.067 -6.769 4.859 242 HH2 TRP 28 HH2 TRP 28 16.024 -4.727 5.893 243 H GLU 29 HN GLU 29 13.393 -6.775 -1.301 244 HA GLU 29 HA GLU 29 11.141 -7.759 -2.920 245 HB2 GLU 29 HB2 GLU 29 13.993 -8.726 -2.574 246 HB3 GLU 29 HB1 GLU 29 12.823 -9.497 -3.644 247 HG2 GLU 29 HG2 GLU 29 12.541 -7.399 -4.882 248 HG3 GLU 29 HG1 GLU 29 13.671 -6.591 -3.795 249 H ASN 30 HN ASN 30 9.761 -9.358 -2.277 250 HA ASN 30 HA ASN 30 10.425 -10.869 0.228 251 HB2 ASN 30 HB2 ASN 30 8.277 -9.472 0.016 252 HB3 ASN 30 HB1 ASN 30 7.724 -10.700 -1.122 253 HD21 ASN 30 HD21 ASN 30 8.584 -10.136 2.280 254 HD22 ASN 30 HD22 ASN 30 7.906 -11.578 2.866 255 H THR 31 HN THR 31 10.452 -13.123 0.189 256 HA THR 31 HA THR 31 10.047 -14.440 -2.479 257 HB THR 31 HB THR 31 11.841 -16.007 -1.847 258 HG1 THR 31 HG1 THR 31 13.096 -15.384 0.024 259 HG21 THR 31 HG21 THR 31 12.592 -13.079 -1.624 260 HG22 THR 31 HG22 THR 31 12.442 -14.008 -3.115 261 HG23 THR 31 HG23 THR 31 13.724 -14.387 -1.965 262 H HIS 32 HN HIS 32 8.524 -14.033 0.261 263 HA HIS 32 HA HIS 32 8.100 -16.642 1.353 264 HB2 HIS 32 HB2 HIS 32 7.394 -14.376 2.327 265 HB3 HIS 32 HB1 HIS 32 6.010 -14.457 1.238 266 HD1 HIS 32 HD1 HIS 32 7.671 -16.707 3.848 267 HD2 HIS 32 HD2 HIS 32 3.880 -15.788 2.380 268 HE1 HIS 32 HE1 HIS 32 6.022 -18.021 5.249 269 H GLU 33 HN GLU 33 7.754 -15.934 -1.732 270 HA GLU 33 HA GLU 33 6.542 -16.784 -3.523 271 HB2 GLU 33 HB2 GLU 33 5.918 -18.883 -1.434 272 HB3 GLU 33 HB1 GLU 33 5.493 -19.033 -3.138 273 HG2 GLU 33 HG2 GLU 33 7.835 -18.844 -3.784 274 HG3 GLU 33 HG1 GLU 33 8.304 -18.571 -2.105 275 H SER 34 HN SER 34 5.166 -15.069 -1.310 276 HA SER 34 HA SER 34 2.392 -15.468 -2.382 277 HB2 SER 34 HB2 SER 34 2.565 -16.307 -0.027 278 HB3 SER 34 HB1 SER 34 3.095 -14.701 0.469 279 HG SER 34 HG SER 34 0.830 -15.003 0.713 280 H ILE 35 HN ILE 35 4.868 -13.322 -1.103 281 HA ILE 35 HA ILE 35 3.302 -10.957 -2.067 282 HB ILE 35 HB ILE 35 5.569 -11.129 -0.068 283 HG12 ILE 35 HG12 ILE 35 2.687 -10.278 0.313 284 HG13 ILE 35 HG11 ILE 35 3.259 -11.915 0.635 285 HG21 ILE 35 HG21 ILE 35 4.880 -8.661 0.251 286 HG22 ILE 35 HG22 ILE 35 4.081 -8.814 -1.314 287 HG23 ILE 35 HG23 ILE 35 5.823 -9.049 -1.187 288 HD11 ILE 35 HD11 ILE 35 4.326 -9.393 1.936 289 HD12 ILE 35 HD12 ILE 35 4.890 -11.033 2.258 290 HD13 ILE 35 HD13 ILE 35 3.248 -10.562 2.700 291 H SER 36 HN SER 36 4.173 -9.665 -3.608 292 HA SER 36 HA SER 36 6.446 -10.710 -5.127 293 HB2 SER 36 HB2 SER 36 4.280 -9.616 -6.048 294 HB3 SER 36 HB1 SER 36 5.043 -8.084 -5.645 295 HG SER 36 HG SER 36 5.437 -8.897 -7.819 296 H GLN 37 HN GLN 37 5.731 -7.422 -3.888 297 HA GLN 37 HA GLN 37 8.501 -7.228 -2.852 298 HB2 GLN 37 HB2 GLN 37 8.575 -6.520 -5.254 299 HB3 GLN 37 HB1 GLN 37 7.401 -5.258 -4.874 300 HG2 GLN 37 HG2 GLN 37 8.942 -4.273 -3.251 301 HG3 GLN 37 HG1 GLN 37 10.109 -5.561 -3.549 302 HE21 GLN 37 HE21 GLN 37 11.707 -4.974 -5.003 303 HE22 GLN 37 HE22 GLN 37 11.524 -3.845 -6.258 304 H VAL 38 HN VAL 38 8.765 -5.476 -1.380 305 HA VAL 38 HA VAL 38 6.304 -3.946 -0.651 306 HB VAL 38 HB VAL 38 8.062 -5.178 1.481 307 HG11 VAL 38 HG11 VAL 38 5.178 -4.236 1.430 308 HG12 VAL 38 HG12 VAL 38 6.538 -3.327 2.085 309 HG13 VAL 38 HG13 VAL 38 6.040 -4.837 2.846 310 HG21 VAL 38 HG21 VAL 38 6.124 -6.899 1.632 311 HG22 VAL 38 HG22 VAL 38 7.333 -7.133 0.371 312 HG23 VAL 38 HG23 VAL 38 5.768 -6.431 -0.031 313 H GLY 39 HN GLY 39 6.894 -2.058 0.788 314 HA2 GLY 39 HA2 GLY 39 9.543 -1.294 1.358 315 HA3 GLY 39 HA1 GLY 39 9.215 -0.710 -0.273 316 H LEU 40 HN LEU 40 9.508 1.427 0.725 317 HA LEU 40 HA LEU 40 6.988 2.415 2.031 318 HB2 LEU 40 HB2 LEU 40 9.796 3.435 2.534 319 HB3 LEU 40 HB1 LEU 40 8.322 3.981 3.333 320 HG LEU 40 HG LEU 40 9.376 1.141 3.451 321 HD11 LEU 40 HD11 LEU 40 9.616 3.434 5.418 322 HD12 LEU 40 HD12 LEU 40 10.933 2.596 4.597 323 HD13 LEU 40 HD13 LEU 40 9.973 1.752 5.811 324 HD21 LEU 40 HD21 LEU 40 7.066 1.044 3.907 325 HD22 LEU 40 HD22 LEU 40 7.059 2.597 4.734 326 HD23 LEU 40 HD23 LEU 40 7.771 1.183 5.509 327 H LEU 41 HN LEU 41 6.250 4.425 1.292 328 HA LEU 41 HA LEU 41 7.569 5.424 -1.212 329 HB2 LEU 41 HB2 LEU 41 4.706 5.830 -0.307 330 HB3 LEU 41 HB1 LEU 41 5.387 6.205 -1.888 331 HG LEU 41 HG LEU 41 5.181 3.433 -0.684 332 HD11 LEU 41 HD11 LEU 41 3.719 4.541 -3.088 333 HD12 LEU 41 HD12 LEU 41 3.032 4.571 -1.464 334 HD13 LEU 41 HD13 LEU 41 3.410 3.030 -2.233 335 HD21 LEU 41 HD21 LEU 41 5.755 2.871 -3.181 336 HD22 LEU 41 HD22 LEU 41 7.062 3.345 -2.099 337 HD23 LEU 41 HD23 LEU 41 6.386 4.518 -3.232 338 H GLY 42 HN GLY 42 8.403 7.428 -1.161 339 HA2 GLY 42 HA2 GLY 42 8.044 9.071 1.285 340 HA3 GLY 42 HA1 GLY 42 9.277 9.308 0.048 341 H ASP 43 HN ASP 43 6.122 10.192 1.083 342 HA ASP 43 HA ASP 43 5.635 11.714 -1.451 343 HB2 ASP 43 HB2 ASP 43 3.842 10.140 -0.582 344 HB3 ASP 43 HB1 ASP 43 3.675 11.229 0.795 345 H GLU 44 HN GLU 44 4.671 13.902 -1.115 346 HA GLU 44 HA GLU 44 6.333 15.477 0.649 347 HB2 GLU 44 HB2 GLU 44 5.478 16.270 -1.557 348 HB3 GLU 44 HB1 GLU 44 3.848 16.285 -0.886 349 HG2 GLU 44 HG2 GLU 44 4.531 17.932 0.801 350 HG3 GLU 44 HG1 GLU 44 6.185 17.892 0.188 351 H THR 45 HN THR 45 3.281 13.899 1.015 352 HA THR 45 HA THR 45 2.458 15.644 3.268 353 HB THR 45 HB THR 45 0.412 14.379 3.260 354 HG1 THR 45 HG1 THR 45 1.831 12.616 1.552 355 HG21 THR 45 HG21 THR 45 -0.298 14.626 0.912 356 HG22 THR 45 HG22 THR 45 1.387 14.738 0.412 357 HG23 THR 45 HG23 THR 45 0.680 16.001 1.420 358 H GLY 46 HN GLY 46 4.358 12.865 2.749 359 HA2 GLY 46 HA2 GLY 46 5.398 12.452 5.193 360 HA3 GLY 46 HA1 GLY 46 3.812 11.714 5.424 361 H ILE 47 HN ILE 47 4.573 9.601 5.621 362 HA ILE 47 HA ILE 47 5.659 8.372 3.111 363 HB ILE 47 HB ILE 47 6.465 7.741 5.965 364 HG12 ILE 47 HG12 ILE 47 8.153 8.700 3.640 365 HG13 ILE 47 HG11 ILE 47 7.466 9.792 4.843 366 HG21 ILE 47 HG21 ILE 47 8.084 6.180 4.749 367 HG22 ILE 47 HG22 ILE 47 7.084 6.413 3.318 368 HG23 ILE 47 HG23 ILE 47 6.396 5.672 4.761 369 HD11 ILE 47 HD11 ILE 47 9.255 7.438 5.508 370 HD12 ILE 47 HD12 ILE 47 8.669 8.667 6.628 371 HD13 ILE 47 HD13 ILE 47 9.820 9.102 5.365 372 H ILE 48 HN ILE 48 4.949 6.221 2.721 373 HA ILE 48 HA ILE 48 2.959 5.053 4.584 374 HB ILE 48 HB ILE 48 1.572 6.441 3.166 375 HG12 ILE 48 HG12 ILE 48 0.131 4.720 2.159 376 HG13 ILE 48 HG11 ILE 48 1.425 3.542 2.277 377 HG21 ILE 48 HG21 ILE 48 1.577 6.215 0.731 378 HG22 ILE 48 HG22 ILE 48 2.848 4.998 0.829 379 HG23 ILE 48 HG23 ILE 48 3.184 6.666 1.297 380 HD11 ILE 48 HD11 ILE 48 1.270 3.414 4.604 381 HD12 ILE 48 HD12 ILE 48 -0.416 3.642 4.144 382 HD13 ILE 48 HD13 ILE 48 0.526 5.007 4.744 383 H LYS 49 HN LYS 49 2.983 2.857 4.534 384 HA LYS 49 HA LYS 49 5.050 1.549 2.915 385 HB2 LYS 49 HB2 LYS 49 4.726 0.931 5.290 386 HB3 LYS 49 HB1 LYS 49 3.086 0.398 4.916 387 HG2 LYS 49 HG2 LYS 49 3.939 -1.314 3.406 388 HG3 LYS 49 HG1 LYS 49 5.590 -0.743 3.644 389 HD2 LYS 49 HD2 LYS 49 5.424 -1.290 6.048 390 HD3 LYS 49 HD1 LYS 49 3.782 -1.882 5.792 391 HE2 LYS 49 HE2 LYS 49 4.621 -3.583 4.230 392 HE3 LYS 49 HE1 LYS 49 6.265 -2.983 4.444 393 HZ1 LYS 49 HZ1 LYS 49 4.642 -4.607 6.207 394 HZ2 LYS 49 HZ2 LYS 49 5.527 -3.376 6.973 395 HZ3 LYS 49 HZ3 LYS 49 6.328 -4.544 6.034 396 H PHE 50 HN PHE 50 4.582 -0.264 1.377 397 HA PHE 50 HA PHE 50 1.742 -0.634 0.697 398 HB2 PHE 50 HB2 PHE 50 2.042 -0.065 -1.627 399 HB3 PHE 50 HB1 PHE 50 2.652 1.301 -0.696 400 HD1 PHE 50 HD1 PHE 50 5.234 1.181 -0.066 401 HD2 PHE 50 HD2 PHE 50 3.407 -0.986 -3.296 402 HE1 PHE 50 HE1 PHE 50 7.447 0.951 -1.170 403 HE2 PHE 50 HE2 PHE 50 5.618 -1.217 -4.388 404 HZ PHE 50 HZ PHE 50 7.635 -0.252 -3.331 405 H THR 51 HN THR 51 1.483 -2.598 -0.563 406 HA THR 51 HA THR 51 3.896 -4.365 -0.719 407 HB THR 51 HB THR 51 1.157 -5.054 0.382 408 HG1 THR 51 HG1 THR 51 3.017 -5.760 2.012 409 HG21 THR 51 HG21 THR 51 3.503 -6.760 -0.426 410 HG22 THR 51 HG22 THR 51 1.802 -6.972 -0.831 411 HG23 THR 51 HG23 THR 51 2.368 -7.299 0.808 412 H ILE 52 HN ILE 52 4.070 -5.360 -2.657 413 HA ILE 52 HA ILE 52 1.786 -5.162 -4.582 414 HB ILE 52 HB ILE 52 4.727 -5.727 -5.074 415 HG12 ILE 52 HG12 ILE 52 3.120 -3.225 -5.670 416 HG13 ILE 52 HG11 ILE 52 4.116 -3.409 -4.230 417 HG21 ILE 52 HG21 ILE 52 4.052 -5.231 -7.449 418 HG22 ILE 52 HG22 ILE 52 2.371 -5.243 -6.919 419 HG23 ILE 52 HG23 ILE 52 3.341 -6.711 -6.805 420 HD11 ILE 52 HD11 ILE 52 5.342 -3.948 -6.921 421 HD12 ILE 52 HD12 ILE 52 6.106 -3.378 -5.437 422 HD13 ILE 52 HD13 ILE 52 5.114 -2.281 -6.399 423 H TRP 53 HN TRP 53 0.721 -7.017 -5.152 424 HA TRP 53 HA TRP 53 1.685 -9.581 -4.067 425 HB2 TRP 53 HB2 TRP 53 -0.838 -8.759 -5.527 426 HB3 TRP 53 HB1 TRP 53 -0.531 -10.390 -4.926 427 HD1 TRP 53 HD1 TRP 53 -1.556 -6.943 -3.824 428 HE1 TRP 53 HE1 TRP 53 -2.063 -6.959 -1.296 429 HE3 TRP 53 HE3 TRP 53 0.190 -11.582 -2.610 430 HZ2 TRP 53 HZ2 TRP 53 -1.766 -8.714 0.946 431 HZ3 TRP 53 HZ3 TRP 53 0.065 -12.403 -0.276 432 HH2 TRP 53 HH2 TRP 53 -0.910 -10.976 1.502 433 H LYS 54 HN LYS 54 2.277 -11.343 -5.315 434 HA LYS 54 HA LYS 54 3.539 -10.927 -7.821 435 HB2 LYS 54 HB2 LYS 54 2.422 -13.456 -6.596 436 HB3 LYS 54 HB1 LYS 54 3.488 -13.427 -8.000 437 HG2 LYS 54 HG2 LYS 54 5.112 -12.086 -6.512 438 HG3 LYS 54 HG1 LYS 54 4.110 -12.609 -5.159 439 HD2 LYS 54 HD2 LYS 54 5.411 -14.482 -7.160 440 HD3 LYS 54 HD1 LYS 54 6.051 -14.131 -5.556 441 HE2 LYS 54 HE2 LYS 54 3.854 -14.940 -4.599 442 HE3 LYS 54 HE1 LYS 54 3.419 -15.477 -6.221 443 HZ1 LYS 54 HZ1 LYS 54 4.938 -17.129 -6.197 444 HZ2 LYS 54 HZ2 LYS 54 4.639 -17.048 -4.527 445 HZ3 LYS 54 HZ3 LYS 54 6.016 -16.300 -5.184 446 H ASN 55 HN ASN 55 0.241 -11.911 -7.024 447 HA ASN 55 HA ASN 55 -0.583 -12.799 -9.586 448 HB2 ASN 55 HB2 ASN 55 -2.093 -11.423 -7.352 449 HB3 ASN 55 HB1 ASN 55 -2.887 -12.055 -8.794 450 HD21 ASN 55 HD21 ASN 55 -3.417 -13.125 -6.169 451 HD22 ASN 55 HD22 ASN 55 -2.836 -14.719 -6.125 452 H ALA 56 HN ALA 56 0.555 -9.748 -8.741 453 HA ALA 56 HA ALA 56 -1.156 -8.259 -10.641 454 HB1 ALA 56 HB1 ALA 56 1.324 -7.115 -9.367 455 HB2 ALA 56 HB2 ALA 56 -0.093 -7.419 -8.364 456 HB3 ALA 56 HB3 ALA 56 -0.210 -6.322 -9.737 457 H GLU 57 HN GLU 57 2.074 -9.620 -10.392 458 HA GLU 57 HA GLU 57 3.813 -9.807 -11.953 459 HB2 GLU 57 HB2 GLU 57 1.380 -9.949 -13.753 460 HB3 GLU 57 HB1 GLU 57 3.022 -10.335 -14.277 461 HG2 GLU 57 HG2 GLU 57 3.189 -12.079 -12.568 462 HG3 GLU 57 HG1 GLU 57 1.580 -11.673 -11.972 463 H LEU 58 HN LEU 58 3.578 -7.207 -11.194 464 HA LEU 58 HA LEU 58 3.539 -5.608 -13.698 465 HB2 LEU 58 HB2 LEU 58 2.942 -5.035 -10.862 466 HB3 LEU 58 HB1 LEU 58 3.862 -3.768 -11.672 467 HG LEU 58 HG LEU 58 2.178 -3.758 -13.501 468 HD11 LEU 58 HD11 LEU 58 0.906 -5.831 -11.715 469 HD12 LEU 58 HD12 LEU 58 1.243 -5.936 -13.442 470 HD13 LEU 58 HD13 LEU 58 -0.049 -4.888 -12.858 471 HD21 LEU 58 HD21 LEU 58 1.974 -2.148 -11.730 472 HD22 LEU 58 HD22 LEU 58 1.202 -3.331 -10.677 473 HD23 LEU 58 HD23 LEU 58 0.359 -2.740 -12.109 474 HA PRO 59 HA PRO 59 7.928 -5.025 -13.826 475 HB2 PRO 59 HB2 PRO 59 7.606 -2.063 -13.866 476 HB3 PRO 59 HB1 PRO 59 8.327 -3.132 -15.083 477 HG2 PRO 59 HG2 PRO 59 5.938 -1.960 -15.443 478 HG3 PRO 59 HG1 PRO 59 6.308 -3.573 -16.084 479 HD2 PRO 59 HD2 PRO 59 4.646 -2.826 -13.700 480 HD3 PRO 59 HD1 PRO 59 4.439 -4.144 -14.871 481 H LEU 60 HN LEU 60 9.733 -4.516 -12.484 482 HA LEU 60 HA LEU 60 9.145 -4.063 -9.689 483 HB2 LEU 60 HB2 LEU 60 11.815 -4.061 -11.125 484 HB3 LEU 60 HB1 LEU 60 11.563 -4.267 -9.390 485 HG LEU 60 HG LEU 60 10.514 -6.122 -11.550 486 HD11 LEU 60 HD11 LEU 60 12.178 -7.711 -10.670 487 HD12 LEU 60 HD12 LEU 60 12.745 -6.492 -9.527 488 HD13 LEU 60 HD13 LEU 60 12.962 -6.245 -11.260 489 HD21 LEU 60 HD21 LEU 60 8.983 -6.359 -9.785 490 HD22 LEU 60 HD22 LEU 60 10.197 -6.019 -8.551 491 HD23 LEU 60 HD23 LEU 60 10.186 -7.578 -9.375 492 H LEU 61 HN LEU 61 9.523 -2.263 -8.448 493 HA LEU 61 HA LEU 61 9.646 0.313 -9.853 494 HB2 LEU 61 HB2 LEU 61 9.190 -0.551 -6.998 495 HB3 LEU 61 HB1 LEU 61 9.468 1.145 -7.393 496 HG LEU 61 HG LEU 61 7.581 1.085 -8.981 497 HD11 LEU 61 HD11 LEU 61 6.060 -0.992 -8.759 498 HD12 LEU 61 HD12 LEU 61 7.477 -1.801 -8.090 499 HD13 LEU 61 HD13 LEU 61 7.518 -1.162 -9.734 500 HD21 LEU 61 HD21 LEU 61 6.743 -0.049 -6.300 501 HD22 LEU 61 HD22 LEU 61 5.828 1.051 -7.329 502 HD23 LEU 61 HD23 LEU 61 7.288 1.615 -6.516 503 H GLU 62 HN GLU 62 11.273 1.882 -9.512 504 HA GLU 62 HA GLU 62 13.884 0.801 -8.516 505 HB2 GLU 62 HB2 GLU 62 13.245 2.930 -10.577 506 HB3 GLU 62 HB1 GLU 62 14.870 2.613 -9.977 507 HG2 GLU 62 HG2 GLU 62 14.775 1.297 -11.926 508 HG3 GLU 62 HG1 GLU 62 14.390 0.134 -10.664 509 H GLN 63 HN GLN 63 15.038 1.954 -7.062 510 HA GLN 63 HA GLN 63 13.591 3.801 -5.363 511 HB2 GLN 63 HB2 GLN 63 16.468 2.866 -5.362 512 HB3 GLN 63 HB1 GLN 63 15.775 3.913 -4.121 513 HG2 GLN 63 HG2 GLN 63 14.119 2.235 -3.553 514 HG3 GLN 63 HG1 GLN 63 14.660 1.202 -4.875 515 HE21 GLN 63 HE21 GLN 63 14.694 0.786 -1.847 516 HE22 GLN 63 HE22 GLN 63 16.302 0.371 -1.498 517 H GLY 64 HN GLY 64 13.745 5.991 -5.232 518 HA2 GLY 64 HA2 GLY 64 14.776 8.138 -5.563 519 HA3 GLY 64 HA1 GLY 64 15.862 7.420 -6.749 520 H GLU 65 HN GLU 65 13.212 6.059 -7.791 521 HA GLU 65 HA GLU 65 12.594 8.275 -9.669 522 HB2 GLU 65 HB2 GLU 65 12.050 5.302 -9.745 523 HB3 GLU 65 HB1 GLU 65 11.446 6.428 -10.960 524 HG2 GLU 65 HG2 GLU 65 13.765 7.146 -11.437 525 HG3 GLU 65 HG1 GLU 65 14.361 6.005 -10.231 526 H SER 66 HN SER 66 10.457 8.777 -10.214 527 HA SER 66 HA SER 66 8.543 8.595 -7.950 528 HB2 SER 66 HB2 SER 66 7.267 10.278 -9.419 529 HB3 SER 66 HB1 SER 66 8.784 10.812 -8.709 530 HG SER 66 HG SER 66 9.203 11.276 -10.725 531 H TYR 67 HN TYR 67 6.273 8.052 -8.397 532 HA TYR 67 HA TYR 67 5.748 6.573 -10.909 533 HB2 TYR 67 HB2 TYR 67 5.565 5.291 -8.175 534 HB3 TYR 67 HB1 TYR 67 4.979 4.575 -9.676 535 HD1 TYR 67 HD1 TYR 67 7.991 5.726 -7.862 536 HD2 TYR 67 HD2 TYR 67 6.478 3.583 -11.260 537 HE1 TYR 67 HE1 TYR 67 10.263 4.853 -8.323 538 HE2 TYR 67 HE2 TYR 67 8.752 2.712 -11.724 539 HH TYR 67 HH TYR 67 10.945 2.970 -11.235 540 H LEU 68 HN LEU 68 3.595 6.320 -11.322 541 HA LEU 68 HA LEU 68 1.764 7.926 -9.572 542 HB2 LEU 68 HB2 LEU 68 2.107 8.300 -12.224 543 HB3 LEU 68 HB1 LEU 68 0.887 7.046 -12.304 544 HG LEU 68 HG LEU 68 -0.320 9.080 -12.338 545 HD11 LEU 68 HD11 LEU 68 -1.729 8.945 -10.458 546 HD12 LEU 68 HD12 LEU 68 -0.433 8.421 -9.394 547 HD13 LEU 68 HD13 LEU 68 -1.066 7.325 -10.618 548 HD21 LEU 68 HD21 LEU 68 1.493 10.578 -11.643 549 HD22 LEU 68 HD22 LEU 68 1.362 10.010 -9.990 550 HD23 LEU 68 HD23 LEU 68 0.038 10.907 -10.711 551 H LEU 69 HN LEU 69 0.129 6.901 -8.500 552 HA LEU 69 HA LEU 69 -0.165 3.966 -8.970 553 HB2 LEU 69 HB2 LEU 69 -0.964 5.667 -6.585 554 HB3 LEU 69 HB1 LEU 69 -1.013 3.909 -6.676 555 HG LEU 69 HG LEU 69 1.481 5.609 -6.911 556 HD11 LEU 69 HD11 LEU 69 0.372 5.417 -4.622 557 HD12 LEU 69 HD12 LEU 69 2.046 4.868 -4.715 558 HD13 LEU 69 HD13 LEU 69 0.732 3.691 -4.695 559 HD21 LEU 69 HD21 LEU 69 2.493 3.195 -6.561 560 HD22 LEU 69 HD22 LEU 69 1.976 3.694 -8.166 561 HD23 LEU 69 HD23 LEU 69 0.936 2.656 -7.190 562 H ARG 70 HN ARG 70 -1.836 3.674 -10.391 563 HA ARG 70 HA ARG 70 -4.325 5.302 -10.013 564 HB2 ARG 70 HB2 ARG 70 -3.350 3.727 -12.406 565 HB3 ARG 70 HB1 ARG 70 -4.862 4.630 -12.335 566 HG2 ARG 70 HG2 ARG 70 -3.596 6.708 -11.921 567 HG3 ARG 70 HG1 ARG 70 -2.089 5.794 -11.994 568 HD2 ARG 70 HD2 ARG 70 -2.472 6.833 -14.158 569 HD3 ARG 70 HD1 ARG 70 -2.674 5.087 -14.316 570 HE ARG 70 HE ARG 70 -5.208 6.287 -13.725 571 HH11 ARG 70 HH21 ARG 70 -2.809 5.981 -16.188 572 HH12 ARG 70 HH22 ARG 70 -3.937 6.160 -17.490 573 HH21 ARG 70 HH11 ARG 70 -6.687 6.521 -15.408 574 HH22 ARG 70 HH12 ARG 70 -6.133 6.466 -17.048 575 H SER 71 HN SER 71 -6.238 4.287 -9.609 576 HA SER 71 HA SER 71 -7.695 2.615 -8.906 577 HB2 SER 71 HB2 SER 71 -7.705 1.933 -11.202 578 HB3 SER 71 HB1 SER 71 -6.134 1.154 -11.044 579 HG SER 71 HG SER 71 -8.653 0.304 -10.260 580 H VAL 72 HN VAL 72 -5.973 2.872 -6.950 581 HA VAL 72 HA VAL 72 -4.928 0.127 -6.329 582 HB VAL 72 HB VAL 72 -3.533 1.352 -4.591 583 HG11 VAL 72 HG11 VAL 72 -1.807 1.831 -6.136 584 HG12 VAL 72 HG12 VAL 72 -2.944 2.325 -7.391 585 HG13 VAL 72 HG13 VAL 72 -2.785 0.625 -6.958 586 HG21 VAL 72 HG21 VAL 72 -5.010 3.422 -4.685 587 HG22 VAL 72 HG22 VAL 72 -4.263 3.789 -6.240 588 HG23 VAL 72 HG23 VAL 72 -3.277 3.736 -4.779 589 H VAL 73 HN VAL 73 -5.065 -0.421 -3.990 590 HA VAL 73 HA VAL 73 -7.554 0.688 -2.734 591 HB VAL 73 HB VAL 73 -7.949 -1.531 -3.793 592 HG11 VAL 73 HG11 VAL 73 -5.549 -2.305 -3.380 593 HG12 VAL 73 HG12 VAL 73 -6.811 -3.490 -3.047 594 HG13 VAL 73 HG13 VAL 73 -6.041 -2.626 -1.717 595 HG21 VAL 73 HG21 VAL 73 -9.021 -2.523 -1.857 596 HG22 VAL 73 HG22 VAL 73 -9.136 -0.770 -1.713 597 HG23 VAL 73 HG23 VAL 73 -7.943 -1.655 -0.764 598 H VAL 74 HN VAL 74 -7.612 0.585 -0.447 599 HA VAL 74 HA VAL 74 -4.913 0.763 0.785 600 HB VAL 74 HB VAL 74 -7.657 1.520 1.835 601 HG11 VAL 74 HG11 VAL 74 -4.871 1.851 2.982 602 HG12 VAL 74 HG12 VAL 74 -6.219 0.976 3.703 603 HG13 VAL 74 HG13 VAL 74 -6.278 2.734 3.574 604 HG21 VAL 74 HG21 VAL 74 -6.876 3.816 1.445 605 HG22 VAL 74 HG22 VAL 74 -6.799 2.894 -0.057 606 HG23 VAL 74 HG23 VAL 74 -5.327 3.206 0.863 607 H GLY 75 HN GLY 75 -4.143 -0.787 2.168 608 HA2 GLY 75 HA2 GLY 75 -5.951 -3.062 2.845 609 HA3 GLY 75 HA1 GLY 75 -4.190 -3.118 2.832 610 H GLU 76 HN GLU 76 -6.134 -3.764 5.012 611 HA GLU 76 HA GLU 76 -5.543 -1.679 7.042 612 HB2 GLU 76 HB2 GLU 76 -7.813 -2.714 6.905 613 HB3 GLU 76 HB1 GLU 76 -7.091 -4.276 7.292 614 HG2 GLU 76 HG2 GLU 76 -6.290 -3.413 9.433 615 HG3 GLU 76 HG1 GLU 76 -6.920 -1.812 9.046 616 H TYR 77 HN TYR 77 -3.369 -1.903 7.587 617 HA TYR 77 HA TYR 77 -2.356 -4.630 8.272 618 HB2 TYR 77 HB2 TYR 77 -1.047 -3.193 6.694 619 HB3 TYR 77 HB1 TYR 77 -0.836 -2.018 7.990 620 HD1 TYR 77 HD1 TYR 77 -0.168 -5.546 7.001 621 HD2 TYR 77 HD2 TYR 77 0.808 -2.333 9.680 622 HE1 TYR 77 HE1 TYR 77 1.764 -6.846 7.856 623 HE2 TYR 77 HE2 TYR 77 2.737 -3.634 10.535 624 HH TYR 77 HH TYR 77 3.812 -5.573 10.482 625 H ASN 78 HN ASN 78 -2.916 -5.078 10.347 626 HA ASN 78 HA ASN 78 -3.305 -4.760 12.651 627 HB2 ASN 78 HB2 ASN 78 -0.858 -5.169 12.467 628 HB3 ASN 78 HB1 ASN 78 -0.602 -3.425 12.386 629 HD21 ASN 78 HD21 ASN 78 0.470 -3.215 14.442 630 HD22 ASN 78 HD22 ASN 78 -0.318 -3.515 15.915 631 H ASP 79 HN ASP 79 -1.436 -2.121 13.401 632 HA ASP 79 HA ASP 79 -3.847 -0.433 13.740 633 HB2 ASP 79 HB2 ASP 79 -1.011 -0.244 14.775 634 HB3 ASP 79 HB1 ASP 79 -2.226 1.003 15.064 635 H ARG 80 HN ARG 80 -1.098 -0.683 11.668 636 HA ARG 80 HA ARG 80 -1.342 2.156 10.792 637 HB2 ARG 80 HB2 ARG 80 0.676 -0.011 10.152 638 HB3 ARG 80 HB1 ARG 80 0.690 1.595 9.420 639 HG2 ARG 80 HG2 ARG 80 0.882 2.621 11.647 640 HG3 ARG 80 HG1 ARG 80 0.849 1.022 12.393 641 HD2 ARG 80 HD2 ARG 80 2.896 0.411 11.140 642 HD3 ARG 80 HD1 ARG 80 2.948 2.033 10.451 643 HE ARG 80 HE ARG 80 3.619 1.303 13.223 644 HH11 ARG 80 HH21 ARG 80 2.821 3.750 10.916 645 HH12 ARG 80 HH22 ARG 80 3.503 5.034 11.854 646 HH21 ARG 80 HH11 ARG 80 4.506 2.970 14.452 647 HH22 ARG 80 HH12 ARG 80 4.453 4.595 13.854 648 H PHE 81 HN PHE 81 -1.400 2.560 8.441 649 HA PHE 81 HA PHE 81 -3.114 0.554 7.019 650 HB2 PHE 81 HB2 PHE 81 -2.869 3.564 6.725 651 HB3 PHE 81 HB1 PHE 81 -3.839 2.540 5.663 652 HD1 PHE 81 HD2 PHE 81 -5.776 1.266 6.570 653 HD2 PHE 81 HD1 PHE 81 -3.598 4.092 8.963 654 HE1 PHE 81 HE2 PHE 81 -7.635 1.311 8.209 655 HE2 PHE 81 HE1 PHE 81 -5.458 4.135 10.603 656 HZ PHE 81 HZ PHE 81 -7.477 2.746 10.225 657 H GLN 82 HN GLN 82 -2.644 0.179 4.762 658 HA GLN 82 HA GLN 82 -0.087 1.266 3.713 659 HB2 GLN 82 HB2 GLN 82 0.790 -0.966 3.204 660 HB3 GLN 82 HB1 GLN 82 0.508 -0.822 4.938 661 HG2 GLN 82 HG2 GLN 82 -1.695 -1.953 4.641 662 HG3 GLN 82 HG1 GLN 82 -1.322 -2.180 2.934 663 HE21 GLN 82 HE21 GLN 82 1.639 -2.412 4.374 664 HE22 GLN 82 HE22 GLN 82 1.693 -4.084 4.663 665 H VAL 83 HN VAL 83 0.160 0.701 1.372 666 HA VAL 83 HA VAL 83 -2.530 0.509 0.069 667 HB VAL 83 HB VAL 83 0.007 1.353 -1.339 668 HG11 VAL 83 HG11 VAL 83 -2.848 2.318 -1.606 669 HG12 VAL 83 HG12 VAL 83 -2.202 0.953 -2.520 670 HG13 VAL 83 HG13 VAL 83 -1.521 2.567 -2.741 671 HG21 VAL 83 HG21 VAL 83 -0.676 3.726 -0.688 672 HG22 VAL 83 HG22 VAL 83 0.063 2.758 0.585 673 HG23 VAL 83 HG23 VAL 83 -1.682 2.992 0.561 674 H GLN 84 HN GLN 84 -2.983 -1.358 -0.992 675 HA GLN 84 HA GLN 84 -0.740 -3.250 -1.591 676 HB2 GLN 84 HB2 GLN 84 -3.714 -3.672 -1.212 677 HB3 GLN 84 HB1 GLN 84 -2.607 -4.938 -1.749 678 HG2 GLN 84 HG2 GLN 84 -1.277 -4.659 0.304 679 HG3 GLN 84 HG1 GLN 84 -2.369 -3.382 0.843 680 HE21 GLN 84 HE21 GLN 84 -2.419 -5.243 2.679 681 HE22 GLN 84 HE22 GLN 84 -3.703 -6.342 2.519 682 H VAL 85 HN VAL 85 -0.202 -3.526 -3.678 683 HA VAL 85 HA VAL 85 -1.979 -2.427 -5.798 684 HB VAL 85 HB VAL 85 0.841 -3.498 -6.065 685 HG11 VAL 85 HG11 VAL 85 -0.642 -3.229 -8.112 686 HG12 VAL 85 HG12 VAL 85 0.850 -2.294 -8.146 687 HG13 VAL 85 HG13 VAL 85 -0.677 -1.503 -7.761 688 HG21 VAL 85 HG21 VAL 85 1.528 -1.104 -5.944 689 HG22 VAL 85 HG22 VAL 85 0.816 -1.665 -4.431 690 HG23 VAL 85 HG23 VAL 85 -0.134 -0.672 -5.536 691 H ASN 86 HN ASN 86 -3.007 -3.784 -7.256 692 HA ASN 86 HA ASN 86 -2.296 -6.693 -7.209 693 HB2 ASN 86 HB2 ASN 86 -4.768 -7.125 -7.465 694 HB3 ASN 86 HB1 ASN 86 -4.314 -6.459 -5.897 695 HD21 ASN 86 HD21 ASN 86 -6.075 -5.133 -5.343 696 HD22 ASN 86 HD22 ASN 86 -6.711 -3.919 -6.344 697 H LYS 87 HN LYS 87 -3.984 -7.594 -9.106 698 HA LYS 87 HA LYS 87 -2.753 -6.791 -11.549 699 HB2 LYS 87 HB2 LYS 87 -4.351 -8.294 -12.599 700 HB3 LYS 87 HB1 LYS 87 -3.794 -9.022 -11.092 701 HG2 LYS 87 HG2 LYS 87 -5.835 -7.995 -9.973 702 HG3 LYS 87 HG1 LYS 87 -6.421 -7.596 -11.586 703 HD2 LYS 87 HD2 LYS 87 -5.662 -10.401 -10.732 704 HD3 LYS 87 HD1 LYS 87 -7.308 -9.774 -10.671 705 HE2 LYS 87 HE2 LYS 87 -7.033 -9.211 -13.155 706 HE3 LYS 87 HE1 LYS 87 -5.574 -10.202 -13.112 707 HZ1 LYS 87 HZ1 LYS 87 -8.275 -11.024 -13.239 708 HZ2 LYS 87 HZ2 LYS 87 -7.541 -11.667 -11.848 709 HZ3 LYS 87 HZ3 LYS 87 -6.865 -11.957 -13.380 710 H ASN 88 HN ASN 88 -5.878 -5.945 -10.088 711 HA ASN 88 HA ASN 88 -6.858 -4.470 -12.356 712 HB2 ASN 88 HB2 ASN 88 -7.555 -4.090 -9.428 713 HB3 ASN 88 HB1 ASN 88 -8.523 -3.581 -10.812 714 HD21 ASN 88 HD21 ASN 88 -8.108 -5.985 -12.420 715 HD22 ASN 88 HD22 ASN 88 -8.937 -7.252 -11.651 716 H SER 89 HN SER 89 -4.527 -3.751 -9.920 717 HA SER 89 HA SER 89 -4.770 -0.833 -10.208 718 HB2 SER 89 HB2 SER 89 -2.819 -2.607 -8.732 719 HB3 SER 89 HB1 SER 89 -2.675 -0.852 -8.780 720 HG SER 89 HG SER 89 -4.940 -2.323 -7.899 721 H SER 90 HN SER 90 -2.776 0.444 -10.837 722 HA SER 90 HA SER 90 -0.999 -0.945 -12.772 723 HB2 SER 90 HB2 SER 90 -1.451 0.898 -14.441 724 HB3 SER 90 HB1 SER 90 -2.790 -0.220 -14.203 725 HG SER 90 HG SER 90 -3.924 1.344 -13.372 726 H ILE 91 HN ILE 91 0.805 0.564 -13.472 727 HA ILE 91 HA ILE 91 1.247 2.876 -11.696 728 HB ILE 91 HB ILE 91 3.202 0.552 -11.766 729 HG12 ILE 91 HG12 ILE 91 1.280 1.496 -9.610 730 HG13 ILE 91 HG11 ILE 91 1.257 -0.061 -10.438 731 HG21 ILE 91 HG21 ILE 91 4.157 2.886 -11.510 732 HG22 ILE 91 HG22 ILE 91 4.469 1.831 -10.139 733 HG23 ILE 91 HG23 ILE 91 3.199 3.049 -10.043 734 HD11 ILE 91 HD11 ILE 91 3.607 -0.435 -9.536 735 HD12 ILE 91 HD12 ILE 91 2.303 -0.474 -8.349 736 HD13 ILE 91 HD13 ILE 91 3.321 0.958 -8.492 737 H GLU 92 HN GLU 92 2.546 4.397 -12.693 738 HA GLU 92 HA GLU 92 4.021 3.565 -15.176 739 HB2 GLU 92 HB2 GLU 92 3.284 5.816 -16.156 740 HB3 GLU 92 HB1 GLU 92 2.053 4.555 -16.076 741 HG2 GLU 92 HG2 GLU 92 1.183 5.496 -13.999 742 HG3 GLU 92 HG1 GLU 92 2.442 6.734 -14.013 743 H LYS 93 HN LYS 93 5.954 4.631 -15.507 744 HA LYS 93 HA LYS 93 7.167 5.894 -13.203 745 HB2 LYS 93 HB2 LYS 93 8.093 5.513 -16.060 746 HB3 LYS 93 HB1 LYS 93 9.093 6.245 -14.804 747 HG2 LYS 93 HG2 LYS 93 8.949 4.233 -13.452 748 HG3 LYS 93 HG1 LYS 93 7.843 3.494 -14.608 749 HD2 LYS 93 HD2 LYS 93 9.613 3.625 -16.349 750 HD3 LYS 93 HD1 LYS 93 10.719 4.295 -15.148 751 HE2 LYS 93 HE2 LYS 93 9.378 1.578 -14.977 752 HE3 LYS 93 HE1 LYS 93 11.063 1.863 -15.412 753 HZ1 LYS 93 HZ1 LYS 93 10.693 3.242 -13.076 754 HZ2 LYS 93 HZ2 LYS 93 11.497 1.756 -13.255 755 HZ3 LYS 93 HZ3 LYS 93 9.852 1.788 -12.834 756 H LEU 94 HN LEU 94 7.592 8.052 -12.858 757 HA LEU 94 HA LEU 94 6.352 10.002 -14.780 758 HB2 LEU 94 HB2 LEU 94 6.851 10.240 -11.809 759 HB3 LEU 94 HB1 LEU 94 6.147 11.499 -12.814 760 HG LEU 94 HG LEU 94 4.996 8.713 -12.484 761 HD11 LEU 94 HD11 LEU 94 3.792 11.226 -11.334 762 HD12 LEU 94 HD12 LEU 94 5.009 10.327 -10.428 763 HD13 LEU 94 HD13 LEU 94 3.498 9.551 -10.875 764 HD21 LEU 94 HD21 LEU 94 4.191 11.168 -14.040 765 HD22 LEU 94 HD22 LEU 94 2.932 10.116 -13.411 766 HD23 LEU 94 HD23 LEU 94 4.131 9.472 -14.522 767 H SER 95 HN SER 95 7.490 11.855 -15.327 768 HA SER 95 HA SER 95 10.433 11.661 -14.998 769 HB2 SER 95 HB2 SER 95 10.524 13.279 -16.824 770 HB3 SER 95 HB1 SER 95 9.463 11.947 -17.273 771 HG SER 95 HG SER 95 8.410 13.853 -17.738 772 H GLU 96 HN GLU 96 8.038 12.983 -13.215 773 HA GLU 96 HA GLU 96 9.580 15.481 -12.598 774 HB2 GLU 96 HB2 GLU 96 6.651 14.960 -12.054 775 HB3 GLU 96 HB1 GLU 96 7.514 16.497 -11.945 776 HG2 GLU 96 HG2 GLU 96 8.009 16.330 -14.393 777 HG3 GLU 96 HG1 GLU 96 6.988 14.893 -14.463 778 HA PRO 97 HA PRO 97 10.164 12.675 -8.943 779 HB2 PRO 97 HB2 PRO 97 12.179 14.816 -8.390 780 HB3 PRO 97 HB1 PRO 97 12.366 13.052 -8.332 781 HG2 PRO 97 HG2 PRO 97 13.384 14.487 -10.336 782 HG3 PRO 97 HG1 PRO 97 12.686 12.879 -10.612 783 HD2 PRO 97 HD2 PRO 97 11.517 15.569 -11.243 784 HD3 PRO 97 HD1 PRO 97 11.366 14.036 -12.132 785 H ILE 98 HN ILE 98 9.887 13.118 -6.626 786 HA ILE 98 HA ILE 98 8.245 15.569 -6.127 787 HB ILE 98 HB ILE 98 8.344 12.948 -4.601 788 HG12 ILE 98 HG12 ILE 98 5.824 13.094 -5.650 789 HG13 ILE 98 HG11 ILE 98 6.706 13.939 -6.917 790 HG21 ILE 98 HG21 ILE 98 7.716 14.723 -3.120 791 HG22 ILE 98 HG22 ILE 98 6.223 13.911 -3.594 792 HG23 ILE 98 HG23 ILE 98 6.663 15.450 -4.334 793 HD11 ILE 98 HD11 ILE 98 6.957 11.098 -5.997 794 HD12 ILE 98 HD12 ILE 98 8.357 11.891 -6.715 795 HD13 ILE 98 HD13 ILE 98 6.863 11.735 -7.639 796 H GLU 99 HN GLU 99 8.809 16.959 -4.502 797 HA GLU 99 HA GLU 99 11.538 16.899 -3.561 798 HB2 GLU 99 HB2 GLU 99 10.231 18.996 -3.998 799 HB3 GLU 99 HB1 GLU 99 9.244 18.625 -2.586 800 HG2 GLU 99 HG2 GLU 99 10.959 20.163 -1.877 801 HG3 GLU 99 HG1 GLU 99 11.376 18.582 -1.220 802 H VAL 100 HN VAL 100 12.300 15.911 -1.797 803 HA VAL 100 HA VAL 100 10.380 14.938 0.291 804 HB VAL 100 HB VAL 100 12.180 13.269 0.810 805 HG11 VAL 100 HG11 VAL 100 11.257 13.323 -2.082 806 HG12 VAL 100 HG12 VAL 100 10.319 12.707 -0.722 807 HG13 VAL 100 HG13 VAL 100 11.806 11.893 -1.207 808 HG21 VAL 100 HG21 VAL 100 13.994 13.004 -0.879 809 HG22 VAL 100 HG22 VAL 100 14.099 14.548 -0.034 810 HG23 VAL 100 HG23 VAL 100 13.445 14.481 -1.671 811 H GLY 101 HN GLY 101 12.447 17.391 -0.330 812 HA2 GLY 101 HA2 GLY 101 12.925 17.901 2.543 813 HA3 GLY 101 HA1 GLY 101 14.361 17.813 1.520 814 H LEU 102 HN LEU 102 11.832 19.836 2.591 815 HA LEU 102 HA LEU 102 12.077 21.757 0.368 816 HB2 LEU 102 HB2 LEU 102 10.534 23.085 2.048 817 HB3 LEU 102 HB1 LEU 102 9.880 21.736 1.122 818 HG LEU 102 HG LEU 102 11.152 21.075 3.763 819 HD11 LEU 102 HD11 LEU 102 9.887 22.965 4.461 820 HD12 LEU 102 HD12 LEU 102 8.916 21.549 4.867 821 HD13 LEU 102 HD13 LEU 102 8.519 22.514 3.445 822 HD21 LEU 102 HD21 LEU 102 10.027 19.454 2.062 823 HD22 LEU 102 HD22 LEU 102 8.505 20.113 2.653 824 HD23 LEU 102 HD23 LEU 102 9.600 19.287 3.763 825 H GLU 103 HN GLU 103 14.038 22.711 0.448 826 HA GLU 103 HA GLU 103 15.711 23.272 2.578 827 HB2 GLU 103 HB2 GLU 103 15.203 25.013 0.146 828 HB3 GLU 103 HB1 GLU 103 16.613 25.128 1.199 829 HG2 GLU 103 HG2 GLU 103 17.408 23.744 -0.514 830 HG3 GLU 103 HG1 GLU 103 16.889 22.565 0.687 831 H HIS 104 HN HIS 104 14.771 23.994 4.474 832 HA HIS 104 HA HIS 104 12.827 26.106 4.639 833 HB2 HIS 104 HB2 HIS 104 13.236 24.440 6.445 834 HB3 HIS 104 HB1 HIS 104 14.818 25.165 6.727 835 HD1 HIS 104 HD1 HIS 104 11.150 26.202 6.706 836 HD2 HIS 104 HD2 HIS 104 14.750 27.280 8.510 837 HE1 HIS 104 HE1 HIS 104 10.594 28.011 8.386 838 H HIS 105 HN HIS 105 16.369 26.014 4.932 839 HA HIS 105 HA HIS 105 16.486 28.888 4.234 840 HB2 HIS 105 HB2 HIS 105 16.386 28.945 6.680 841 HB3 HIS 105 HB1 HIS 105 17.679 27.749 6.782 842 HD1 HIS 105 HD1 HIS 105 17.165 31.192 5.195 843 HD2 HIS 105 HD2 HIS 105 20.159 28.927 7.007 844 HE1 HIS 105 HE1 HIS 105 19.213 32.678 5.318 845 H HIS 106 HN HIS 106 18.536 26.197 5.419 846 HA HIS 106 HA HIS 106 20.654 25.486 4.669 847 HB2 HIS 106 HB2 HIS 106 19.128 25.973 2.102 848 HB3 HIS 106 HB1 HIS 106 20.718 25.212 2.141 849 HD1 HIS 106 HD1 HIS 106 20.437 22.743 1.979 850 HD2 HIS 106 HD2 HIS 106 17.468 24.466 4.345 851 HE1 HIS 106 HE1 HIS 106 19.021 20.834 2.855 852 H HIS 107 HN HIS 107 20.287 27.498 1.820 853 HA HIS 107 HA HIS 107 21.990 29.635 2.939 854 HB2 HIS 107 HB2 HIS 107 23.642 27.944 2.268 855 HB3 HIS 107 HB1 HIS 107 22.912 27.844 0.666 856 HD1 HIS 107 HD1 HIS 107 24.649 30.381 2.910 857 HD2 HIS 107 HD2 HIS 107 23.869 29.729 -1.133 858 HE1 HIS 107 HE1 HIS 107 25.934 32.155 1.637 859 H HIS 108 HN HIS 108 19.718 30.493 2.312 860 HA HIS 108 HA HIS 108 19.013 30.749 -0.463 861 HB2 HIS 108 HB2 HIS 108 17.397 31.103 1.384 862 HB3 HIS 108 HB1 HIS 108 18.286 32.547 1.870 863 HD1 HIS 108 HD1 HIS 108 17.730 34.687 0.674 864 HD2 HIS 108 HD2 HIS 108 16.240 31.348 -1.327 865 HE1 HIS 108 HE1 HIS 108 16.310 35.568 -1.229 866 H HIS 109 HN HIS 109 20.780 32.878 1.783 867 HA HIS 109 HA HIS 109 22.315 34.017 -0.408 868 HB2 HIS 109 HB2 HIS 109 21.523 36.326 -0.171 869 HB3 HIS 109 HB1 HIS 109 20.176 35.283 -0.625 870 HD1 HIS 109 HD1 HIS 109 18.698 34.393 1.510 871 HD2 HIS 109 HD2 HIS 109 21.062 37.766 2.149 872 HE1 HIS 109 HE1 HIS 109 17.803 35.509 3.600
Contact the webmaster for help, if required. Monday, May 20, 2024 7:04:22 PM GMT (wattos1)